├── model ├── configuration │ ├── include │ │ └── .gitkeep │ ├── speciesConstant.config │ ├── photolysisConstant.config │ ├── photolysisConstrained.config │ ├── speciesConstrained.config │ ├── outputRates.config │ ├── outputSpecies.config │ ├── initialConcentrations.config │ ├── environmentVariables.config │ └── solver.parameters ├── constraints │ ├── environment │ │ └── .gitkeep │ ├── photolysis │ │ └── .gitkeep │ └── species │ │ └── .gitkeep ├── output │ └── reactionRates │ │ └── .gitkeep └── .gitignore ├── tests ├── tests │ ├── short_ext1 │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ ├── errors.output.cmp │ │ │ ├── speciesConcentrations.output.cmp │ │ │ └── photolysisRatesParameters.output.cmp │ │ └── model │ │ │ └── configuration │ │ │ ├── speciesConstant.config │ │ │ ├── speciesConstrained.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── outputSpecies.config │ │ │ ├── initialConcentrations.config │ │ │ ├── environmentVariables.config │ │ │ ├── solver.parameters │ │ │ ├── customRateFuncs.f90 │ │ │ ├── include │ │ │ └── mechanism.ro2.cmp │ │ │ └── model.parameters │ ├── short_ext2 │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ ├── errors.output.cmp │ │ │ ├── speciesConcentrations.output.cmp │ │ │ └── photolysisRatesParameters.output.cmp │ │ └── model │ │ │ └── configuration │ │ │ ├── speciesConstant.config │ │ │ ├── speciesConstrained.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── outputSpecies.config │ │ │ ├── initialConcentrations.config │ │ │ ├── environmentVariables.config │ │ │ ├── solver.parameters │ │ │ ├── customRateFuncs.f90 │ │ │ ├── include │ │ │ └── mechanism.ro2.cmp │ │ │ └── model.parameters │ ├── short_ext3 │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ ├── errors.output.cmp │ │ │ ├── speciesConcentrations.output.cmp │ │ │ └── photolysisRatesParameters.output.cmp │ │ └── model │ │ │ └── configuration │ │ │ ├── speciesConstant.config │ │ │ ├── speciesConstrained.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── outputSpecies.config │ │ │ ├── initialConcentrations.config │ │ │ ├── environmentVariables.config │ │ │ ├── solver.parameters │ │ │ ├── customRateFuncs.f90 │ │ │ ├── include │ │ │ └── mechanism.ro2.cmp │ │ │ └── model.parameters │ ├── short_ext4 │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ ├── errors.output.cmp │ │ │ ├── speciesConcentrations.output.cmp │ │ │ └── photolysisRatesParameters.output.cmp │ │ └── model │ │ │ └── configuration │ │ │ ├── speciesConstant.config │ │ │ ├── speciesConstrained.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── outputSpecies.config │ │ │ ├── initialConcentrations.config │ │ │ ├── environmentVariables.config │ │ │ ├── solver.parameters │ │ │ ├── customRateFuncs.f90 │ │ │ ├── include │ │ │ └── mechanism.ro2.cmp │ │ │ └── model.parameters │ ├── spec_no_env_yes1 │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ ├── errors.output.cmp │ │ │ └── speciesConcentrations.output.cmp │ │ └── model │ │ │ ├── configuration │ │ │ ├── speciesConstant.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── speciesConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── outputSpecies.config │ │ │ ├── initialConcentrations.config │ │ │ ├── include │ │ │ │ ├── mechanism.ro2.cmp │ │ │ │ └── mechanism.species.cmp │ │ │ ├── environmentVariables.config │ │ │ ├── solver.parameters │ │ │ ├── customRateFuncs.f90 │ │ │ └── model.parameters │ │ │ └── constraints │ │ │ └── environment │ │ │ └── BLHEIGHT │ ├── spec_no_env_yes2 │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ ├── lossRates.output.cmp │ │ │ ├── productionRates.output.cmp │ │ │ ├── errors.output.cmp │ │ │ ├── speciesConcentrations.output.cmp │ │ │ ├── photolysisRatesParameters.output.cmp │ │ │ ├── environmentVariables.output.cmp │ │ │ └── mainSolverParameters.output.cmp │ │ └── model │ │ │ ├── configuration │ │ │ ├── speciesConstant.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── speciesConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── outputSpecies.config │ │ │ ├── initialConcentrations.config │ │ │ ├── include │ │ │ │ ├── mechanism.ro2.cmp │ │ │ │ └── mechanism.species.cmp │ │ │ ├── environmentVariables.config │ │ │ ├── solver.parameters │ │ │ ├── customRateFuncs.f90 │ │ │ └── model.parameters │ │ │ └── constraints │ │ │ └── environment │ │ │ ├── PRESS │ │ │ └── TEMP │ ├── spec_yes_env_no │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ ├── lossRates.output.cmp │ │ │ ├── productionRates.output.cmp │ │ │ ├── errors.output.cmp │ │ │ ├── speciesConcentrations.output.cmp │ │ │ ├── photolysisRatesParameters.output.cmp │ │ │ └── environmentVariables.output.cmp │ │ └── model │ │ │ ├── configuration │ │ │ ├── speciesConstant.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── speciesConstrained.config │ │ │ ├── outputSpecies.config │ │ │ ├── initialConcentrations.config │ │ │ ├── include │ │ │ │ ├── mechanism.ro2.cmp │ │ │ │ └── mechanism.species.cmp │ │ │ ├── environmentVariables.config │ │ │ ├── solver.parameters │ │ │ ├── customRateFuncs.f90 │ │ │ └── model.parameters │ │ │ └── constraints │ │ │ └── species │ │ │ ├── CH4 │ │ │ └── O3 │ ├── spec_yes_env_yes │ │ ├── output │ │ │ ├── lossRates.output.cmp │ │ │ ├── productionRates.output.cmp │ │ │ ├── errors.output.cmp │ │ │ ├── speciesConcentrations.output.cmp │ │ │ ├── photolysisRatesParameters.output.cmp │ │ │ ├── environmentVariables.output.cmp │ │ │ └── mainSolverParameters.output.cmp │ │ └── model │ │ │ ├── configuration │ │ │ ├── speciesConstant.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── outputSpecies.config │ │ │ ├── speciesConstrained.config │ │ │ ├── initialConcentrations.config │ │ │ ├── include │ │ │ │ ├── mechanism.ro2.cmp │ │ │ │ └── mechanism.species.cmp │ │ │ ├── environmentVariables.config │ │ │ ├── solver.parameters │ │ │ ├── customRateFuncs.f90 │ │ │ └── model.parameters │ │ │ └── constraints │ │ │ ├── environment │ │ │ └── BLHEIGHT │ │ │ └── species │ │ │ ├── O3 │ │ │ └── NO2 │ ├── short │ │ ├── model │ │ │ └── configuration │ │ │ │ ├── speciesConstant.config │ │ │ │ ├── speciesConstrained.config │ │ │ │ ├── outputSpecies.config │ │ │ │ ├── photolysisConstrained.config │ │ │ │ ├── outputRates.config │ │ │ │ ├── initialConcentrations.config │ │ │ │ ├── environmentVariables.config │ │ │ │ ├── solver.parameters │ │ │ │ ├── customRateFuncs.f90 │ │ │ │ ├── include │ │ │ │ └── mechanism.ro2.cmp │ │ │ │ └── model.parameters │ │ └── output │ │ │ ├── errors.output.cmp │ │ │ ├── speciesConcentrations.output.cmp │ │ │ └── photolysisRatesParameters.output.cmp │ ├── short_dense │ │ ├── model │ │ │ └── configuration │ │ │ │ ├── speciesConstant.config │ │ │ │ ├── outputSpecies.config │ │ │ │ ├── photolysisConstrained.config │ │ │ │ ├── speciesConstrained.config │ │ │ │ ├── outputRates.config │ │ │ │ ├── initialConcentrations.config │ │ │ │ ├── environmentVariables.config │ │ │ │ ├── solver.parameters │ │ │ │ ├── customRateFuncs.f90 │ │ │ │ ├── include │ │ │ │ └── mechanism.ro2.cmp │ │ │ │ └── model.parameters │ │ └── output │ │ │ ├── errors.output.cmp │ │ │ ├── speciesConcentrations.output.cmp │ │ │ └── photolysisRatesParameters.output.cmp │ ├── short_no_pre │ │ ├── model │ │ │ └── configuration │ │ │ │ ├── speciesConstant.config │ │ │ │ ├── outputSpecies.config │ │ │ │ ├── photolysisConstrained.config │ │ │ │ ├── speciesConstrained.config │ │ │ │ ├── outputRates.config │ │ │ │ ├── initialConcentrations.config │ │ │ │ ├── environmentVariables.config │ │ │ │ ├── solver.parameters │ │ │ │ ├── customRateFuncs.f90 │ │ │ │ ├── include │ │ │ │ └── mechanism.ro2.cmp │ │ │ │ └── model.parameters │ │ └── output │ │ │ ├── errors.output.cmp │ │ │ ├── speciesConcentrations.output.cmp │ │ │ └── photolysisRatesParameters.output.cmp │ ├── spec_yes_env_no_with_jfac │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ ├── errors.output.cmp │ │ │ ├── speciesConcentrations.output.cmp │ │ │ └── photolysisRatesParameters.output.cmp │ │ └── model │ │ │ ├── configuration │ │ │ ├── speciesConstant.config │ │ │ ├── outputRates.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── speciesConstrained.config │ │ │ ├── outputSpecies.config │ │ │ ├── initialConcentrations.config │ │ │ ├── include │ │ │ │ ├── mechanism.ro2.cmp │ │ │ │ └── mechanism.species.cmp │ │ │ ├── environmentVariables.config │ │ │ ├── solver.parameters │ │ │ ├── customRateFuncs.f90 │ │ │ └── model.parameters │ │ │ └── constraints │ │ │ ├── species │ │ │ ├── CH4 │ │ │ ├── NO2 │ │ │ └── O3 │ │ │ └── photolysis │ │ │ └── J4 │ ├── spec_yes_env_no_with_photo │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ ├── lossRates.output.cmp │ │ │ ├── productionRates.output.cmp │ │ │ ├── errors.output.cmp │ │ │ ├── speciesConcentrations.output.cmp │ │ │ └── photolysisRatesParameters.output.cmp │ │ └── model │ │ │ ├── configuration │ │ │ ├── speciesConstant.config │ │ │ ├── outputRates.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── outputSpecies.config │ │ │ ├── speciesConstrained.config │ │ │ ├── initialConcentrations.config │ │ │ ├── include │ │ │ │ ├── mechanism.ro2.cmp │ │ │ │ └── mechanism.species.cmp │ │ │ ├── environmentVariables.config │ │ │ ├── solver.parameters │ │ │ ├── customRateFuncs.f90 │ │ │ └── model.parameters │ │ │ └── constraints │ │ │ ├── species │ │ │ ├── CH4 │ │ │ └── O3 │ │ │ └── photolysis │ │ │ └── J4 │ ├── spec_yes_plus_fixed_env_no │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ ├── lossRates.output.cmp │ │ │ ├── productionRates.output.cmp │ │ │ ├── errors.output.cmp │ │ │ ├── speciesConcentrations.output.cmp │ │ │ └── photolysisRatesParameters.output.cmp │ │ └── model │ │ │ ├── configuration │ │ │ ├── photolysisConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── outputSpecies.config │ │ │ ├── speciesConstrained.config │ │ │ ├── speciesConstant.config │ │ │ ├── initialConcentrations.config │ │ │ ├── include │ │ │ │ ├── mechanism.ro2.cmp │ │ │ │ └── mechanism.species.cmp │ │ │ ├── environmentVariables.config │ │ │ ├── solver.parameters │ │ │ ├── customRateFuncs.f90 │ │ │ └── model.parameters │ │ │ └── constraints │ │ │ └── species │ │ │ ├── CH4 │ │ │ └── O3 │ ├── short_end_of_day │ │ ├── model │ │ │ └── configuration │ │ │ │ ├── speciesConstant.config │ │ │ │ ├── outputSpecies.config │ │ │ │ ├── photolysisConstrained.config │ │ │ │ ├── speciesConstrained.config │ │ │ │ ├── outputRates.config │ │ │ │ ├── initialConcentrations.config │ │ │ │ ├── environmentVariables.config │ │ │ │ ├── solver.parameters │ │ │ │ ├── customRateFuncs.f90 │ │ │ │ ├── include │ │ │ │ └── mechanism.ro2.cmp │ │ │ │ └── model.parameters │ │ └── output │ │ │ ├── errors.output.cmp │ │ │ └── speciesConcentrations.output.cmp │ ├── spec_yes_env_no_with_jfac_fail1 │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ ├── lossRates.output.cmp │ │ │ ├── finalModelState.output.cmp │ │ │ ├── photolysisRates.output.cmp │ │ │ ├── productionRates.output.cmp │ │ │ ├── environmentVariables.output.cmp │ │ │ ├── mainSolverParameters.output.cmp │ │ │ ├── errors.output.cmp │ │ │ ├── speciesConcentrations.output.cmp │ │ │ └── photolysisRatesParameters.output.cmp │ │ └── model │ │ │ ├── configuration │ │ │ ├── speciesConstant.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── outputSpecies.config │ │ │ ├── speciesConstrained.config │ │ │ ├── initialConcentrations.config │ │ │ ├── include │ │ │ │ ├── mechanism.ro2.cmp │ │ │ │ └── mechanism.species.cmp │ │ │ ├── environmentVariables.config │ │ │ ├── solver.parameters │ │ │ ├── customRateFuncs.f90 │ │ │ └── model.parameters │ │ │ └── constraints │ │ │ └── species │ │ │ ├── CH4 │ │ │ ├── NO2 │ │ │ └── O3 │ └── spec_yes_env_no_with_jfac_fixed │ │ ├── output │ │ ├── jacobian.output.cmp │ │ ├── errors.output.cmp │ │ ├── speciesConcentrations.output.cmp │ │ └── photolysisRatesParameters.output.cmp │ │ └── model │ │ ├── configuration │ │ ├── speciesConstant.config │ │ ├── photolysisConstrained.config │ │ ├── outputRates.config │ │ ├── outputSpecies.config │ │ ├── speciesConstrained.config │ │ ├── initialConcentrations.config │ │ ├── include │ │ │ ├── mechanism.ro2.cmp │ │ │ └── mechanism.species.cmp │ │ ├── environmentVariables.config │ │ ├── solver.parameters │ │ ├── customRateFuncs.f90 │ │ └── model.parameters │ │ └── constraints │ │ └── species │ │ ├── CH4 │ │ ├── NO2 │ │ └── O3 ├── model_tests │ ├── env_model_1 │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ ├── errors.output.cmp │ │ │ ├── reactionRates │ │ │ │ ├── 52200.cmp │ │ │ │ ├── 54000.cmp │ │ │ │ ├── 55800.cmp │ │ │ │ ├── 57600.cmp │ │ │ │ ├── 59400.cmp │ │ │ │ ├── 61200.cmp │ │ │ │ ├── 63000.cmp │ │ │ │ └── 64800.cmp │ │ │ └── finalModelState.output.cmp │ │ └── configuration │ │ │ ├── outputRates.config │ │ │ ├── speciesConstant.config │ │ │ ├── photolysisConstant.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── speciesConstrained.config │ │ │ ├── outputSpecies.config │ │ │ ├── include │ │ │ ├── mechanism.species.cmp │ │ │ ├── mechanism.prod.cmp │ │ │ ├── mechanism.reac.cmp │ │ │ └── mechanism.ro2.cmp │ │ │ ├── initialConcentrations.config │ │ │ ├── environmentVariables.config │ │ │ └── solver.parameters │ ├── env_model_2 │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ ├── errors.output.cmp │ │ │ ├── reactionRates │ │ │ │ ├── 52200.cmp │ │ │ │ ├── 54000.cmp │ │ │ │ ├── 55800.cmp │ │ │ │ ├── 57600.cmp │ │ │ │ ├── 59400.cmp │ │ │ │ ├── 61200.cmp │ │ │ │ ├── 63000.cmp │ │ │ │ └── 64800.cmp │ │ │ └── finalModelState.output.cmp │ │ └── configuration │ │ │ ├── outputRates.config │ │ │ ├── speciesConstant.config │ │ │ ├── photolysisConstant.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── speciesConstrained.config │ │ │ ├── outputSpecies.config │ │ │ ├── include │ │ │ ├── mechanism.species.cmp │ │ │ ├── mechanism.prod.cmp │ │ │ ├── mechanism.reac.cmp │ │ │ └── mechanism.ro2.cmp │ │ │ ├── initialConcentrations.config │ │ │ ├── environmentVariables.config │ │ │ └── solver.parameters │ ├── env_model_3 │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ ├── errors.output.cmp │ │ │ ├── reactionRates │ │ │ │ ├── 52200.cmp │ │ │ │ ├── 54000.cmp │ │ │ │ ├── 55800.cmp │ │ │ │ ├── 57600.cmp │ │ │ │ ├── 59400.cmp │ │ │ │ ├── 61200.cmp │ │ │ │ ├── 63000.cmp │ │ │ │ └── 64800.cmp │ │ │ └── finalModelState.output.cmp │ │ └── configuration │ │ │ ├── outputRates.config │ │ │ ├── speciesConstant.config │ │ │ ├── photolysisConstant.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── speciesConstrained.config │ │ │ ├── outputSpecies.config │ │ │ ├── include │ │ │ ├── mechanism.species.cmp │ │ │ ├── mechanism.prod.cmp │ │ │ ├── mechanism.reac.cmp │ │ │ └── mechanism.ro2.cmp │ │ │ ├── initialConcentrations.config │ │ │ ├── environmentVariables.config │ │ │ └── solver.parameters │ ├── env_model_4 │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ ├── errors.output.cmp │ │ │ ├── reactionRates │ │ │ │ ├── 52200.cmp │ │ │ │ ├── 54000.cmp │ │ │ │ ├── 55800.cmp │ │ │ │ ├── 57600.cmp │ │ │ │ ├── 59400.cmp │ │ │ │ ├── 61200.cmp │ │ │ │ ├── 63000.cmp │ │ │ │ └── 64800.cmp │ │ │ └── finalModelState.output.cmp │ │ └── configuration │ │ │ ├── outputRates.config │ │ │ ├── speciesConstant.config │ │ │ ├── photolysisConstant.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── speciesConstrained.config │ │ │ ├── outputSpecies.config │ │ │ ├── include │ │ │ ├── mechanism.species.cmp │ │ │ ├── mechanism.prod.cmp │ │ │ ├── mechanism.reac.cmp │ │ │ └── mechanism.ro2.cmp │ │ │ ├── initialConcentrations.config │ │ │ ├── environmentVariables.config │ │ │ └── solver.parameters │ ├── spec_model_1 │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ └── errors.output.cmp │ │ └── configuration │ │ │ ├── speciesConstant.config │ │ │ ├── photolysisConstant.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── speciesConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── initialConcentrations.config │ │ │ ├── outputSpecies.config │ │ │ ├── include │ │ │ └── mechanism.ro2.cmp │ │ │ ├── environmentVariables.config │ │ │ └── solver.parameters │ ├── spec_model_func │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ └── errors.output.cmp │ │ └── configuration │ │ │ ├── photolysisConstant.config │ │ │ ├── speciesConstant.config │ │ │ ├── speciesConstrained.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── initialConcentrations.config │ │ │ ├── outputSpecies.config │ │ │ ├── include │ │ │ └── mechanism.ro2.cmp │ │ │ ├── environmentVariables.config │ │ │ └── solver.parameters │ ├── spec_model_kpp │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ └── errors.output.cmp │ │ └── configuration │ │ │ ├── photolysisConstant.config │ │ │ ├── speciesConstant.config │ │ │ ├── speciesConstrained.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── initialConcentrations.config │ │ │ ├── outputSpecies.config │ │ │ ├── include │ │ │ └── mechanism.ro2.cmp │ │ │ ├── environmentVariables.config │ │ │ └── solver.parameters │ ├── spec_model_stoich │ │ ├── output │ │ │ ├── jacobian.output.cmp │ │ │ └── errors.output.cmp │ │ └── configuration │ │ │ ├── speciesConstant.config │ │ │ ├── photolysisConstant.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── speciesConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── initialConcentrations.config │ │ │ ├── outputSpecies.config │ │ │ ├── include │ │ │ └── mechanism.ro2.cmp │ │ │ ├── environmentVariables.config │ │ │ └── solver.parameters │ ├── static │ │ ├── configuration │ │ │ ├── speciesConstant.config │ │ │ ├── photolysisConstant.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── speciesConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── outputSpecies.config │ │ │ ├── include │ │ │ │ ├── mechanism.species.cmp │ │ │ │ ├── mechanism.prod.cmp │ │ │ │ ├── mechanism.reac.cmp │ │ │ │ └── mechanism.ro2.cmp │ │ │ ├── initialConcentrations.config │ │ │ ├── environmentVariables.config │ │ │ ├── solver.parameters │ │ │ └── model.parameters │ │ └── output │ │ │ ├── reactionRates │ │ │ ├── 1003200.cmp │ │ │ ├── 103200.cmp │ │ │ ├── 1033200.cmp │ │ │ ├── 1063200.cmp │ │ │ ├── 1093200.cmp │ │ │ ├── 1123200.cmp │ │ │ ├── 1153200.cmp │ │ │ ├── 1183200.cmp │ │ │ ├── 1213200.cmp │ │ │ ├── 1243200.cmp │ │ │ ├── 1273200.cmp │ │ │ ├── 1303200.cmp │ │ │ ├── 133200.cmp │ │ │ ├── 1333200.cmp │ │ │ ├── 1363200.cmp │ │ │ ├── 1393200.cmp │ │ │ ├── 1423200.cmp │ │ │ ├── 1453200.cmp │ │ │ ├── 1483200.cmp │ │ │ ├── 1513200.cmp │ │ │ ├── 1543200.cmp │ │ │ ├── 1573200.cmp │ │ │ ├── 1603200.cmp │ │ │ ├── 163200.cmp │ │ │ ├── 1633200.cmp │ │ │ ├── 1663200.cmp │ │ │ ├── 1693200.cmp │ │ │ ├── 1723200.cmp │ │ │ ├── 1753200.cmp │ │ │ ├── 1783200.cmp │ │ │ ├── 1813200.cmp │ │ │ ├── 1843200.cmp │ │ │ ├── 1873200.cmp │ │ │ ├── 1903200.cmp │ │ │ ├── 193200.cmp │ │ │ ├── 1933200.cmp │ │ │ ├── 1963200.cmp │ │ │ ├── 1993200.cmp │ │ │ ├── 2023200.cmp │ │ │ ├── 2053200.cmp │ │ │ ├── 2083200.cmp │ │ │ ├── 2113200.cmp │ │ │ ├── 2143200.cmp │ │ │ ├── 2173200.cmp │ │ │ ├── 2203200.cmp │ │ │ ├── 223200.cmp │ │ │ ├── 2233200.cmp │ │ │ ├── 2263200.cmp │ │ │ ├── 2293200.cmp │ │ │ ├── 2323200.cmp │ │ │ ├── 2353200.cmp │ │ │ ├── 2383200.cmp │ │ │ ├── 2413200.cmp │ │ │ ├── 2443200.cmp │ │ │ ├── 2473200.cmp │ │ │ ├── 2503200.cmp │ │ │ ├── 253200.cmp │ │ │ ├── 2533200.cmp │ │ │ ├── 2563200.cmp │ │ │ ├── 2593200.cmp │ │ │ ├── 2623200.cmp │ │ │ ├── 2653200.cmp │ │ │ ├── 2683200.cmp │ │ │ ├── 2713200.cmp │ │ │ ├── 2743200.cmp │ │ │ ├── 2773200.cmp │ │ │ ├── 2803200.cmp │ │ │ ├── 283200.cmp │ │ │ ├── 2833200.cmp │ │ │ ├── 2863200.cmp │ │ │ ├── 2893200.cmp │ │ │ ├── 2923200.cmp │ │ │ ├── 2953200.cmp │ │ │ ├── 2983200.cmp │ │ │ ├── 3013200.cmp │ │ │ ├── 3043200.cmp │ │ │ ├── 313200.cmp │ │ │ ├── 343200.cmp │ │ │ ├── 373200.cmp │ │ │ ├── 403200.cmp │ │ │ ├── 433200.cmp │ │ │ ├── 463200.cmp │ │ │ ├── 493200.cmp │ │ │ ├── 523200.cmp │ │ │ ├── 553200.cmp │ │ │ ├── 583200.cmp │ │ │ ├── 613200.cmp │ │ │ ├── 643200.cmp │ │ │ ├── 673200.cmp │ │ │ ├── 703200.cmp │ │ │ ├── 73200.cmp │ │ │ ├── 733200.cmp │ │ │ ├── 763200.cmp │ │ │ ├── 793200.cmp │ │ │ ├── 823200.cmp │ │ │ ├── 853200.cmp │ │ │ ├── 883200.cmp │ │ │ ├── 913200.cmp │ │ │ ├── 943200.cmp │ │ │ └── 973200.cmp │ │ │ ├── errors.output.cmp │ │ │ └── finalModelState.output.cmp │ ├── firstorder │ │ ├── configuration │ │ │ ├── photolysisConstant.config │ │ │ ├── speciesConstant.config │ │ │ ├── speciesConstrained.config │ │ │ ├── outputRates.config │ │ │ ├── photolysisConstrained.config │ │ │ ├── outputSpecies.config │ │ │ ├── include │ │ │ │ ├── mechanism.species.cmp │ │ │ │ ├── mechanism.prod.cmp │ │ │ │ ├── mechanism.reac.cmp │ │ │ │ └── mechanism.ro2.cmp │ │ │ ├── initialConcentrations.config │ │ │ ├── environmentVariables.config │ │ │ ├── solver.parameters │ │ │ └── model.parameters │ │ └── output │ │ │ ├── reactionRates │ │ │ ├── 100.cmp │ │ │ ├── 1000.cmp │ │ │ ├── 1100.cmp │ │ │ ├── 1200.cmp │ │ │ ├── 1300.cmp │ │ │ ├── 1400.cmp │ │ │ ├── 1500.cmp │ │ │ ├── 200.cmp │ │ │ ├── 300.cmp │ │ │ ├── 400.cmp │ │ │ ├── 500.cmp │ │ │ ├── 600.cmp │ │ │ ├── 700.cmp │ │ │ ├── 800.cmp │ │ │ └── 900.cmp │ │ │ ├── errors.output.cmp │ │ │ └── finalModelState.output.cmp │ └── secondorder │ │ ├── configuration │ │ ├── speciesConstant.config │ │ ├── photolysisConstant.config │ │ ├── photolysisConstrained.config │ │ ├── speciesConstrained.config │ │ ├── outputRates.config │ │ ├── outputSpecies.config │ │ ├── include │ │ │ ├── mechanism.species.cmp │ │ │ ├── mechanism.prod.cmp │ │ │ ├── mechanism.reac.cmp │ │ │ └── mechanism.ro2.cmp │ │ ├── initialConcentrations.config │ │ ├── environmentVariables.config │ │ ├── solver.parameters │ │ └── model.parameters │ │ └── output │ │ ├── reactionRates │ │ ├── 100.cmp │ │ ├── 1000.cmp │ │ ├── 1100.cmp │ │ ├── 1200.cmp │ │ ├── 1300.cmp │ │ ├── 1400.cmp │ │ ├── 1500.cmp │ │ ├── 200.cmp │ │ ├── 300.cmp │ │ ├── 400.cmp │ │ ├── 500.cmp │ │ ├── 600.cmp │ │ ├── 700.cmp │ │ ├── 800.cmp │ │ └── 900.cmp │ │ ├── errors.output.cmp │ │ └── finalModelState.output.cmp ├── unit_tests │ ├── obj │ │ └── .gitignore │ └── .gitignore └── .gitignore ├── doc ├── AtChem2-Manual.pdf ├── AtChem_poster_ACM2018.pdf └── .gitignore ├── obj └── .gitignore ├── .gitignore ├── mcm ├── mechanism_skel.kpp └── mechanism_skel.fac └── CONTRIBUTING.md /model/configuration/include/.gitkeep: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /model/constraints/environment/.gitkeep: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /model/constraints/photolysis/.gitkeep: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /model/constraints/species/.gitkeep: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /model/output/reactionRates/.gitkeep: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /model/configuration/photolysisConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/tests/short_ext1/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext2/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext3/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext4/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_1/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/output/lossRates.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/output/lossRates.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/output/lossRates.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_func/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_kpp/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_stoich/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/static/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/output/productionRates.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/output/productionRates.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/output/productionRates.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | O 2 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | O 2 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | O 2 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | O 2 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/configuration/photolysisConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_1/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/static/configuration/photolysisConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/static/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/static/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | O3 2 | -------------------------------------------------------------------------------- /tests/tests/short/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_dense/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext1/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext1/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext2/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext2/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext3/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext3/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext4/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext4/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_no_pre/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/output/lossRates.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/output/lossRates.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/configuration/photolysisConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/configuration/photolysisConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/configuration/photolysisConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/configuration/photolysisConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | A 2 | B 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/configuration/photolysisConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_1/configuration/photolysisConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_1/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_1/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_func/configuration/photolysisConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_func/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_func/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_kpp/configuration/photolysisConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_kpp/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_kpp/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_stoich/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/static/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | A 2 | B 3 | -------------------------------------------------------------------------------- /tests/model_tests/static/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | A 2 | B 3 | -------------------------------------------------------------------------------- /tests/tests/short/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | HO2 2 | OH 3 | -------------------------------------------------------------------------------- /tests/tests/short_dense/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | O3 2 | -------------------------------------------------------------------------------- /tests/tests/short_dense/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_dense/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_end_of_day/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext1/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext2/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext3/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext4/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_no_pre/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | O3 2 | -------------------------------------------------------------------------------- /tests/tests/short_no_pre/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_no_pre/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/output/lossRates.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/output/jacobian.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/output/productionRates.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/output/productionRates.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | A 2 | B 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | A 2 | B 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | A 2 | B 3 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_1/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_func/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_kpp/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_stoich/configuration/photolysisConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_stoich/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_stoich/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_dense/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | HO2 2 | OH 3 | -------------------------------------------------------------------------------- /tests/tests/short_end_of_day/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | O3 2 | -------------------------------------------------------------------------------- /tests/tests/short_end_of_day/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_end_of_day/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/short_ext1/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/tests/short_ext2/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/tests/short_ext3/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/tests/short_ext4/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/tests/short_no_pre/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | HO2 2 | OH 3 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/output/finalModelState.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/output/photolysisRates.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/output/productionRates.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_func/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_kpp/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_stoich/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/tests/short_end_of_day/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | HO2 2 | OH 3 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/output/environmentVariables.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/output/mainSolverParameters.output.cmp: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 A 2 | 2 B 3 | -------------------------------------------------------------------------------- /tests/model_tests/static/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 A 2 | 2 B 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | CH4 2 | O3 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | O3 2 | O 3 | NO2 4 | NO 5 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | O3 2 | O 3 | NO2 4 | NO 5 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | O3 2 | O 3 | NO2 4 | NO 5 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | O3 2 | O 3 | NO2 4 | NO 5 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | A 100 2 | B 0 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 A 2 | 2 B 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | A 100 2 | B 0 3 | -------------------------------------------------------------------------------- /tests/model_tests/static/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | A 1e9 2 | B 1e9 3 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | CH4 2 | NO2 3 | O3 4 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | CH4 2 | NO2 3 | O3 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | CH4 2 | NO2 3 | O3 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | J4 2 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | CH4 2 | NO2 3 | O3 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | O3 2 | NO2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/unit_tests/obj/.gitignore: -------------------------------------------------------------------------------- 1 | # Ignore fortran module files in this directory 2 | *.mod 3 | -------------------------------------------------------------------------------- /doc/AtChem2-Manual.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AtChem/AtChem2/HEAD/doc/AtChem2-Manual.pdf -------------------------------------------------------------------------------- /tests/tests/short/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH3OH 3.1e9 2 | NO2 6.2e9 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | CH4 2 | O3 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/outputRates.config: -------------------------------------------------------------------------------- 1 | OH 2 | HO2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/model/configuration/photolysisConstrained.config: -------------------------------------------------------------------------------- 1 | J4 2 | -------------------------------------------------------------------------------- /model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | CH4 2 | CO 3 | O3 4 | NO2 5 | NO 6 | OH 7 | HO2 8 | CH3O2 9 | -------------------------------------------------------------------------------- /obj/.gitignore: -------------------------------------------------------------------------------- 1 | # Ignore fortran object and module files in the obj/ directory 2 | *.o 3 | *.mod 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | CH4 2 | NO2 3 | O3 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | CH4 2 | NO2 3 | O3 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | CH4 2 | O3 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | CH4 2 | NO2 3 | O3 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | CH4 2 | O3 3 | -------------------------------------------------------------------------------- /doc/AtChem_poster_ACM2018.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/AtChem/AtChem2/HEAD/doc/AtChem_poster_ACM2018.pdf -------------------------------------------------------------------------------- /tests/tests/short_dense/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH3OH 3.1e9 2 | NO2 6.2e9 3 | -------------------------------------------------------------------------------- /tests/tests/short_no_pre/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH3OH 3.1e9 2 | NO2 6.2e9 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | CH4 2 | NO2 3 | O3 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | CH4 2 | O3 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | CH4 2 | NO2 3 | O3 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/speciesConstrained.config: -------------------------------------------------------------------------------- 1 | CH4 2 | O3 3 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 O3 2 | 2 O 3 | 3 NO2 4 | 4 NO 5 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 O3 2 | 2 O 3 | 3 NO2 4 | 4 NO 5 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 O3 2 | 2 O 3 | 3 NO2 4 | 4 NO 5 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 O3 2 | 2 O 3 | 3 NO2 4 | 4 NO 5 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/reactionRates/100.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 3.555163E-001 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/reactionRates/1000.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 6.951801E-005 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/reactionRates/1100.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.552553E-005 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/reactionRates/1200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 2.720292E-006 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/reactionRates/1300.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 -1.815261E-005 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/reactionRates/1400.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 -3.145839E-006 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/reactionRates/1500.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 -2.412179E-005 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/reactionRates/200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.263746E-001 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/reactionRates/300.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 4.501615E-002 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/reactionRates/400.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 2.075486E-002 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/reactionRates/500.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 8.356949E-003 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/reactionRates/600.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 2.521992E-003 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/reactionRates/700.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.163492E-003 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/reactionRates/800.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 4.199584E-004 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/reactionRates/900.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.777752E-004 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/reactionRates/100.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.110602E-001 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/reactionRates/1000.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 2.107703E-003 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/reactionRates/1100.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.775151E-003 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/reactionRates/1200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.524134E-003 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/reactionRates/1300.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.311312E-003 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/reactionRates/1400.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.144791E-003 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/reactionRates/1500.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.009322E-003 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/reactionRates/200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 4.004165E-002 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/reactionRates/300.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.922629E-002 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/reactionRates/400.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.224150E-002 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/reactionRates/500.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 8.429580E-003 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/reactionRates/600.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 5.798329E-003 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/reactionRates/700.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 4.361140E-003 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/reactionRates/800.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 3.391118E-003 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/reactionRates/900.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 2.544124E-003 3 | -------------------------------------------------------------------------------- /tests/tests/short_end_of_day/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH3OH 3.1e9 2 | NO2 6.2e9 3 | -------------------------------------------------------------------------------- /tests/tests/short_ext1/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | O3 2 | NO2 3 | NO 4 | HCHO 5 | CH3CHO 6 | MEK 7 | -------------------------------------------------------------------------------- /tests/tests/short_ext2/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | O3 2 | NO2 3 | NO 4 | HCHO 5 | CH3CHO 6 | MEK 7 | -------------------------------------------------------------------------------- /tests/tests/short_ext3/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | O3 2 | NO2 3 | NO 4 | HCHO 5 | CH3CHO 6 | MEK 7 | -------------------------------------------------------------------------------- /tests/tests/short_ext4/model/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | O3 2 | NO2 3 | NO 4 | HCHO 5 | CH3CHO 6 | MEK 7 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/model/configuration/speciesConstant.config: -------------------------------------------------------------------------------- 1 | HNO3 4.73E+13 2 | SO2 5.12E+10 3 | -------------------------------------------------------------------------------- /model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH4 4.9e+13 2 | CO 3.6e+12 3 | O3 5.2e+11 4 | NO2 2.4e+11 5 | -------------------------------------------------------------------------------- /tests/tests/short/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | O3 6.16e+11 2 | NO2 1.97e+11 3 | NO 1.48e+10 4 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | O3 6.16e+11 2 | NO2 1.97e+11 3 | NO 1.48e+10 4 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | O3 6.16e+11 2 | NO2 1.97e+11 3 | NO 1.48e+10 4 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | O3 6.16e+11 2 | NO2 1.97e+11 3 | NO 1.48e+10 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1003200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/103200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1033200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1063200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1093200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1123200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1153200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1183200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1213200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1243200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1273200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1303200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/133200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1333200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1363200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1393200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1423200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1453200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1483200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1513200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1543200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1573200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1603200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/163200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1633200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1663200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1693200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1723200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1753200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1783200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1813200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1843200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1873200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1903200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/193200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1933200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1963200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/1993200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2023200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2053200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2083200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2113200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2143200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2173200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2203200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/223200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2233200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2263200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2293200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2323200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2353200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2383200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2413200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2443200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2473200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2503200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/253200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2533200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2563200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2593200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2623200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2653200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2683200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2713200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2743200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2773200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2803200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/283200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2833200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2863200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2893200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2923200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2953200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/2983200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/3013200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/3043200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/313200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/343200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/373200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/403200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/433200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/463200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/493200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/523200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/553200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/583200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/613200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/643200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/673200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/703200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/73200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/733200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/763200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/793200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/823200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/853200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/883200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/913200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/943200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/reactionRates/973200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.398333E+008 3 | 2 9.398333E+008 4 | -------------------------------------------------------------------------------- /tests/tests/short_ext1/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/tests/short_ext2/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/tests/short_ext3/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/tests/short_ext4/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH4 4.75E+13 2 | NO2 2.64E+11 3 | O3 1.32E+12 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/tests/short_dense/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/tests/short_no_pre/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH4 4.75E+13 2 | NO2 2.64E+11 3 | O3 1.32E+12 4 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH4 4.75E+13 2 | NO2 2.64E+12 3 | O3 1.32E+12 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH4 4.75E+13 2 | NO2 2.64E+11 3 | O3 1.32E+12 4 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_1/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_kpp/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/model_tests/static/output/finalModelState.output.cmp: -------------------------------------------------------------------------------- 1 | A 1000000000.0000000 2 | B 1000000000.0000000 3 | -------------------------------------------------------------------------------- /tests/tests/short_end_of_day/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH4 4.75E+13 2 | NO2 2.64E+11 3 | O3 1.32E+12 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 2 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/configuration/include/mechanism.prod.cmp: -------------------------------------------------------------------------------- 1 | 2 1 0 numberOfSpecies numberOfReactions numberOfGenericComplex 2 | 1 2 1.0 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/configuration/include/mechanism.reac.cmp: -------------------------------------------------------------------------------- 1 | 2 1 0 numberOfSpecies numberOfReactions numberOfGenericComplex 2 | 1 1 1.0 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/output/finalModelState.output.cmp: -------------------------------------------------------------------------------- 1 | A 1.6479347647025151E-004 2 | B 99.999835206523542 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/output/finalModelState.output.cmp: -------------------------------------------------------------------------------- 1 | A 3.4217001569863630 2 | B 96.578299843013525 3 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_func/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_stoich/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 0 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH4 4.75E+13 2 | NO2 2.64E+11 3 | O3 1.32E+12 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH4 4.75E+13 2 | NO2 2.64E+11 3 | O3 1.32E+12 4 | -------------------------------------------------------------------------------- /tests/unit_tests/.gitignore: -------------------------------------------------------------------------------- 1 | # Ignore fruit-generated files in this directory 2 | fruit_driver.exe 3 | fruit_generator.rb 4 | fruit_*_gen.f90 5 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH4 4.75E+13 2 | NO2 2.64E+11 3 | O3 1.32E+12 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH4 4.75E+13 2 | NO2 2.64E+11 3 | O3 1.32E+12 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 2 2 | Total number of constrained species: 4 3 | -------------------------------------------------------------------------------- /tests/model_tests/static/configuration/include/mechanism.prod.cmp: -------------------------------------------------------------------------------- 1 | 2 2 0 numberOfSpecies numberOfReactions numberOfGenericComplex 2 | 1 2 1.0 3 | 2 1 1.0 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/configuration/include/mechanism.reac.cmp: -------------------------------------------------------------------------------- 1 | 2 2 0 numberOfSpecies numberOfReactions numberOfGenericComplex 2 | 1 1 1.0 3 | 2 2 1.0 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/output/errors.output.cmp: -------------------------------------------------------------------------------- 1 | Number of fixed constrained species: 0 2 | Total number of constrained species: 2 3 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/configuration/include/mechanism.prod.cmp: -------------------------------------------------------------------------------- 1 | 2 1 0 numberOfSpecies numberOfReactions numberOfGenericComplex 2 | 1 2 1.0 3 | 1 2 1.0 4 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/configuration/include/mechanism.reac.cmp: -------------------------------------------------------------------------------- 1 | 2 1 0 numberOfSpecies numberOfReactions numberOfGenericComplex 2 | 1 1 1.0 3 | 1 1 1.0 4 | -------------------------------------------------------------------------------- /tests/tests/short_ext1/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH3OH 3.1e9 2 | C2H5OH 1.3e9 3 | BUT2OL 9.7e8 4 | NO2 6.2e9 5 | O3 1.2e+12 6 | -------------------------------------------------------------------------------- /tests/tests/short_ext2/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH3OH 3.1e9 2 | C2H5OH 1.3e9 3 | BUT2OL 9.7e8 4 | NO2 6.2e9 5 | O3 1.2e+12 6 | -------------------------------------------------------------------------------- /tests/tests/short_ext3/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH3OH 3.1e9 2 | C2H5OH 1.3e9 3 | BUT2OL 9.7e8 4 | NO2 6.2e9 5 | O3 1.2e+12 6 | -------------------------------------------------------------------------------- /tests/tests/short_ext4/model/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CH3OH 3.1e9 2 | C2H5OH 1.3e9 3 | BUT2OL 9.7e8 4 | NO2 6.2e9 5 | O3 1.2e+12 6 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_1/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CO 4.8e+12 2 | O3 6.11e11 3 | NO 6.8e10 4 | NO2 8.37e10 5 | C2H4 2.76e+9 6 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_func/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CO 4.8e+12 2 | O3 6.11e11 3 | NO 6.8e10 4 | NO2 8.37e10 5 | C2H4 2.76e+9 6 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_kpp/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CO 4.8e+12 2 | O3 6.11e11 3 | NO 6.8e10 4 | NO2 8.37e10 5 | C2H4 2.76e+9 6 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_stoich/configuration/initialConcentrations.config: -------------------------------------------------------------------------------- 1 | CO 4.8e+12 2 | O3 6.11e11 3 | NO 6.8e10 4 | NO2 8.37e10 5 | C2H4 2.76e+9 6 | -------------------------------------------------------------------------------- /.gitignore: -------------------------------------------------------------------------------- 1 | # Ignore the executable, the Makefile, the Python bytecode, and the compiler-generated files 2 | atchem2 3 | Makefile 4 | *.pyc 5 | *.gcda 6 | *.gcno 7 | *.xml 8 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/model/constraints/species/CH4: -------------------------------------------------------------------------------- 1 | 35500 4.73E+13 2 | 36500 4.76E+13 3 | 37500 4.82E+13 4 | 38500 4.85E+13 5 | 39500 4.69E+13 6 | 40500 4.92E+13 7 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/model/constraints/environment/PRESS: -------------------------------------------------------------------------------- 1 | -50 101300 2 | 500 101325 3 | 1200 101322 4 | 2100 101305 5 | 2500 101315 6 | 3000 101318 7 | 3700 101327 8 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/model/constraints/species/CH4: -------------------------------------------------------------------------------- 1 | -500 4.73E+13 2 | 500 4.76E+13 3 | 1500 4.82E+13 4 | 2500 4.85E+13 5 | 3500 4.69E+13 6 | 4500 4.92E+13 7 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/constraints/species/CH4: -------------------------------------------------------------------------------- 1 | 35500 4.73E+13 2 | 36500 4.76E+13 3 | 37500 4.82E+13 4 | 38500 4.85E+13 5 | 39500 4.69E+13 6 | 40500 4.92E+13 7 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/model/constraints/species/CH4: -------------------------------------------------------------------------------- 1 | 35500 4.73E+13 2 | 36500 4.76E+13 3 | 37500 4.82E+13 4 | 38500 4.85E+13 5 | 39500 4.69E+13 6 | 40500 4.92E+13 7 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_1/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | CO 2 | O3 3 | NO 4 | NO2 5 | C2H4 6 | OH 7 | HO2 8 | ETHENO3O2 9 | HOCH2CH2O2 10 | NO3CH2CO3 11 | HOCH2CO3 12 | HCOCO3 13 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/model/constraints/species/CH4: -------------------------------------------------------------------------------- 1 | 35500 4.73E+13 2 | 36500 4.76E+13 3 | 37500 4.82E+13 4 | 38500 4.85E+13 5 | 39500 4.69E+13 6 | 40500 4.92E+13 7 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/model/constraints/species/CH4: -------------------------------------------------------------------------------- 1 | 35500 4.73E+13 2 | 36500 4.76E+13 3 | 37500 4.82E+13 4 | 38500 4.85E+13 5 | 39500 4.69E+13 6 | 40500 4.92E+13 7 | -------------------------------------------------------------------------------- /doc/.gitignore: -------------------------------------------------------------------------------- 1 | # Ignore png images and latex auxiliary files in the doc/ directory 2 | figures/*.png 3 | latex/*.aux 4 | latex/*.bbl 5 | latex/*.blg 6 | latex/*.log 7 | latex/*.out 8 | latex/*.toc 9 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_func/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | CO 2 | O3 3 | NO 4 | NO2 5 | C2H4 6 | OH 7 | HO2 8 | ETHENO3O2 9 | HOCH2CH2O2 10 | NO3CH2CO3 11 | HOCH2CO3 12 | HCOCO3 13 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_kpp/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | CO 2 | O3 3 | NO 4 | NO2 5 | C2H4 6 | OH 7 | HO2 8 | ETHENO3O2 9 | HOCH2CH2O2 10 | NO3CH2CO3 11 | HOCH2CO3 12 | HCOCO3 13 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_stoich/configuration/outputSpecies.config: -------------------------------------------------------------------------------- 1 | CO 2 | O3 3 | NO 4 | NO2 5 | C2H4 6 | OH 7 | HO2 8 | ETHENO3O2 9 | HOCH2CH2O2 10 | NO3CH2CO3 11 | HOCH2CO3 12 | HCOCO3 13 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/model/constraints/environment/BLHEIGHT: -------------------------------------------------------------------------------- 1 | 0 300 2 | 500 325 3 | 1000 312 4 | 1500 635 5 | 2000 841 6 | 2500 978 7 | 3000 1015 8 | 3500 1007 9 | 4000 1012 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/model/constraints/environment/BLHEIGHT: -------------------------------------------------------------------------------- 1 | 0 300 2 | 500 325 3 | 1000 312 4 | 1500 635 5 | 2000 841 6 | 2500 978 7 | 3000 1015 8 | 3500 1007 9 | 4000 1012 10 | -------------------------------------------------------------------------------- /mcm/mechanism_skel.kpp: -------------------------------------------------------------------------------- 1 | #INLINE F90_RCONST 2 | RO2 = & 3 | C(ind_...) 4 | ... 5 | CALL mcm_constants(time, temp, M, N2, O2, RO2, H2O) 6 | #ENDINLINE 7 | 8 | #EQUATIONS 9 | {1.} A + B = C : k ; 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t CH4 NO2 O3 2 | 3.600000E+004 4.745000E+013 2.640000E+011 1.320000E+012 3 | -------------------------------------------------------------------------------- /mcm/mechanism_skel.fac: -------------------------------------------------------------------------------- 1 | * Generic Rate Coefficients ; 2 | ... 3 | 4 | * Complex reactions ; 5 | ... 6 | 7 | * Peroxy radicals ; 8 | RO2 = ... ; 9 | 10 | * Reaction definitions ; 11 | % k : A + B = C ; 12 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/configuration/include/mechanism.prod.cmp: -------------------------------------------------------------------------------- 1 | 4 6 7 numberOfSpecies numberOfReactions numberOfGenericComplex 2 | 1 2 1.0 3 | 2 4 1.0 4 | 2 2 1.0 5 | 3 1 1.0 6 | 4 1 1.0 7 | 5 3 1.0 8 | 6 3 1.0 9 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/output/reactionRates/52200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 2.251968E+008 3 | 2 7.776266E+008 4 | 3 7.790909E+008 5 | 4 2.239443E+008 6 | 5 2.251262E+003 7 | 6 7.796065E+008 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/output/reactionRates/54000.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 2.121135E+008 3 | 2 7.306388E+008 4 | 3 7.321347E+008 5 | 4 2.104470E+008 6 | 5 2.002012E+003 7 | 6 7.332331E+008 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/output/reactionRates/55800.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.945639E+008 3 | 2 6.629075E+008 4 | 3 6.659123E+008 5 | 4 1.914119E+008 6 | 5 1.670926E+003 7 | 6 6.668034E+008 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/output/reactionRates/57600.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.710056E+008 3 | 2 5.638225E+008 4 | 3 5.706694E+008 5 | 4 1.640350E+008 6 | 5 1.240423E+003 7 | 6 5.698403E+008 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/output/reactionRates/59400.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.384951E+008 3 | 2 4.139586E+008 4 | 3 4.291792E+008 5 | 4 1.233646E+008 6 | 5 7.086663E+002 7 | 6 4.236833E+008 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/output/reactionRates/61200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.071513E+007 3 | 2 1.883300E+008 4 | 3 2.167027E+008 5 | 4 6.228969E+007 6 | 5 1.778018E+002 7 | 6 2.032584E+008 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/output/reactionRates/63000.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.611553E+007 3 | 2 1.792087E+006 4 | 3 1.391660E+007 5 | 4 4.000231E+006 6 | 5 2.906132E-001 7 | 6 4.995102E+006 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/output/reactionRates/64800.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 7.023064E-050 5 | 4 2.018731E-050 6 | 5 2.931853E-064 7 | 6 9.976388E-001 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/configuration/include/mechanism.prod.cmp: -------------------------------------------------------------------------------- 1 | 4 6 7 numberOfSpecies numberOfReactions numberOfGenericComplex 2 | 1 2 1.0 3 | 2 4 1.0 4 | 2 2 1.0 5 | 3 1 1.0 6 | 4 1 1.0 7 | 5 3 1.0 8 | 6 3 1.0 9 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/output/reactionRates/52200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 2.251995E+008 3 | 2 7.776354E+008 4 | 3 7.790999E+008 5 | 4 2.239469E+008 6 | 5 2.251315E+003 7 | 6 7.796172E+008 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/output/reactionRates/54000.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 2.121190E+008 3 | 2 7.306078E+008 4 | 3 7.320924E+008 5 | 4 2.104349E+008 6 | 5 2.002141E+003 7 | 6 7.333322E+008 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/output/reactionRates/55800.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.945701E+008 3 | 2 6.628761E+008 4 | 3 6.660058E+008 5 | 4 1.914387E+008 6 | 5 1.671433E+003 7 | 6 6.669229E+008 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/output/reactionRates/57600.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.710114E+008 3 | 2 5.638123E+008 4 | 3 5.706434E+008 5 | 4 1.640275E+008 6 | 5 1.240558E+003 7 | 6 5.699360E+008 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/output/reactionRates/59400.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.385020E+008 3 | 2 4.139574E+008 4 | 3 4.291886E+008 5 | 4 1.233673E+008 6 | 5 7.088755E+002 7 | 6 4.238070E+008 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/output/reactionRates/61200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 9.072187E+007 3 | 2 1.883593E+008 4 | 3 2.167334E+008 5 | 4 6.229852E+007 6 | 5 1.778528E+002 7 | 6 2.032890E+008 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/output/reactionRates/63000.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 1.650100E+007 3 | 2 1.923268E+006 4 | 3 1.431074E+007 5 | 4 4.113524E+006 6 | 5 3.126755E-001 7 | 6 5.226521E+006 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/output/reactionRates/64800.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 5.439068E-055 5 | 4 1.563422E-055 6 | 5 2.150982E-069 7 | 6 9.450832E-001 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/configuration/include/mechanism.prod.cmp: -------------------------------------------------------------------------------- 1 | 4 6 7 numberOfSpecies numberOfReactions numberOfGenericComplex 2 | 1 2 1.0 3 | 2 4 1.0 4 | 2 2 1.0 5 | 3 1 1.0 6 | 4 1 1.0 7 | 5 3 1.0 8 | 6 3 1.0 9 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/output/reactionRates/52200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 0.000000E+000 7 | 6 1.339445E+001 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/output/reactionRates/54000.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 0.000000E+000 7 | 6 3.754325E-006 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/output/reactionRates/55800.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 0.000000E+000 7 | 6 7.810146E-012 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/output/reactionRates/57600.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 -0.000000E+000 7 | 6 -4.314290E-010 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/output/reactionRates/59400.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 0.000000E+000 7 | 6 1.468376E-010 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/output/reactionRates/61200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 -0.000000E+000 7 | 6 -2.023209E-010 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/output/reactionRates/63000.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 0.000000E+000 7 | 6 2.196221E-011 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/output/reactionRates/64800.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 -0.000000E+000 7 | 6 -4.443866E-010 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/configuration/include/mechanism.prod.cmp: -------------------------------------------------------------------------------- 1 | 4 6 7 numberOfSpecies numberOfReactions numberOfGenericComplex 2 | 1 2 1.0 3 | 2 4 1.0 4 | 2 2 1.0 5 | 3 1 1.0 6 | 4 1 1.0 7 | 5 3 1.0 8 | 6 3 1.0 9 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/output/reactionRates/52200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 0.000000E+000 7 | 6 1.339445E+001 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/output/reactionRates/54000.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 0.000000E+000 7 | 6 3.754325E-006 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/output/reactionRates/55800.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 0.000000E+000 7 | 6 7.810146E-012 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/output/reactionRates/57600.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 -0.000000E+000 7 | 6 -4.314290E-010 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/output/reactionRates/59400.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 0.000000E+000 7 | 6 1.468376E-010 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/output/reactionRates/61200.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 -0.000000E+000 7 | 6 -2.023209E-010 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/output/reactionRates/63000.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 0.000000E+000 7 | 6 2.196221E-011 8 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/output/reactionRates/64800.cmp: -------------------------------------------------------------------------------- 1 | reactionNumber reactionRate 2 | 1 0.000000E+000 3 | 2 0.000000E+000 4 | 3 0.000000E+000 5 | 4 0.000000E+000 6 | 5 -0.000000E+000 7 | 6 -4.443866E-010 8 | -------------------------------------------------------------------------------- /tests/tests/short/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t O3 2 | 4.320000E+004 0.000000E+000 3 | 4.350000E+004 0.000000E+000 4 | 4.380000E+004 0.000000E+000 5 | 4.410000E+004 0.000000E+000 6 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | -------------------------------------------------------------------------------- /tests/model_tests/static/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | -------------------------------------------------------------------------------- /tests/tests/short_dense/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t O3 2 | 4.320000E+004 0.000000E+000 3 | 4.350000E+004 0.000000E+000 4 | 4.380000E+004 0.000000E+000 5 | 4.410000E+004 0.000000E+000 6 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/model/constraints/species/O3: -------------------------------------------------------------------------------- 1 | 0 1.32E+12 2 | 500 9.95E+11 3 | 1000 8.67E+11 4 | 1500 7.62E+11 5 | 2000 8.36E+11 6 | 2500 2.22E+12 7 | 3000 4.19E+12 8 | 3500 3.32E+12 9 | 4000 1.32E+12 10 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/configuration/include/mechanism.reac.cmp: -------------------------------------------------------------------------------- 1 | 4 6 7 numberOfSpecies numberOfReactions numberOfGenericComplex 2 | 1 1 1.0 3 | 2 3 1.0 4 | 3 2 1.0 5 | 4 2 1.0 6 | 5 2 1.0 7 | 5 4 1.0 8 | 6 4 1.0 9 | 6 1 1.0 10 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/configuration/include/mechanism.reac.cmp: -------------------------------------------------------------------------------- 1 | 4 6 7 numberOfSpecies numberOfReactions numberOfGenericComplex 2 | 1 1 1.0 3 | 2 3 1.0 4 | 3 2 1.0 5 | 4 2 1.0 6 | 5 2 1.0 7 | 5 4 1.0 8 | 6 4 1.0 9 | 6 1 1.0 10 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/configuration/include/mechanism.reac.cmp: -------------------------------------------------------------------------------- 1 | 4 6 7 numberOfSpecies numberOfReactions numberOfGenericComplex 2 | 1 1 1.0 3 | 2 3 1.0 4 | 3 2 1.0 5 | 4 2 1.0 6 | 5 2 1.0 7 | 5 4 1.0 8 | 6 4 1.0 9 | 6 1 1.0 10 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/configuration/include/mechanism.reac.cmp: -------------------------------------------------------------------------------- 1 | 4 6 7 numberOfSpecies numberOfReactions numberOfGenericComplex 2 | 1 1 1.0 3 | 2 3 1.0 4 | 3 2 1.0 5 | 4 2 1.0 6 | 5 2 1.0 7 | 5 4 1.0 8 | 6 4 1.0 9 | 6 1 1.0 10 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | -------------------------------------------------------------------------------- /tests/tests/short_no_pre/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t O3 2 | 4.320000E+004 0.000000E+000 3 | 4.350000E+004 0.000000E+000 4 | 4.380000E+004 0.000000E+000 5 | 4.410000E+004 0.000000E+000 6 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/model/constraints/species/O3: -------------------------------------------------------------------------------- 1 | 36000 1.32E+12 2 | 36500 9.95E+11 3 | 37000 8.67E+11 4 | 37500 7.62E+11 5 | 38000 8.36E+11 6 | 38500 2.22E+12 7 | 39000 4.19E+12 8 | 39500 3.32E+12 9 | 40000 1.32E+12 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/constraints/species/NO2: -------------------------------------------------------------------------------- 1 | 0 1.32E+12 2 | 500 9.95E+11 3 | 1000 8.67E+11 4 | 1500 7.62E+11 5 | 2000 8.36E+11 6 | 2500 2.22E+12 7 | 3000 4.19E+12 8 | 3500 3.32E+12 9 | 4000 1.32E+12 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/model/constraints/species/O3: -------------------------------------------------------------------------------- 1 | 0 1.32E+12 2 | 500 9.95E+11 3 | 1000 8.67E+11 4 | 1500 7.62E+11 5 | 2000 8.36E+11 6 | 2500 2.22E+12 7 | 3000 4.19E+12 8 | 3500 3.32E+12 9 | 4000 1.32E+12 10 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 23 !CH3O2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 23 !CH3O2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 23 !CH3O2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/constraints/species/O3: -------------------------------------------------------------------------------- 1 | 36000 1.32E+12 2 | 36500 9.95E+11 3 | 37000 8.67E+11 4 | 37500 7.62E+11 5 | 38000 8.36E+11 6 | 38500 2.22E+12 7 | 39000 4.19E+12 8 | 39500 3.32E+12 9 | 40000 1.32E+12 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/model/constraints/species/NO2: -------------------------------------------------------------------------------- 1 | 0 1.32E+12 2 | 500 9.95E+11 3 | 1000 8.67E+11 4 | 1500 7.62E+11 5 | 2000 8.36E+11 6 | 2500 2.22E+12 7 | 3000 4.19E+12 8 | 3500 3.32E+12 9 | 4000 1.32E+12 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/model/constraints/species/NO2: -------------------------------------------------------------------------------- 1 | 0 1.32E+12 2 | 500 9.95E+11 3 | 1000 8.67E+11 4 | 1500 7.62E+11 5 | 2000 8.36E+11 6 | 2500 2.22E+12 7 | 3000 4.19E+12 8 | 3500 3.32E+12 9 | 4000 1.32E+12 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/model/constraints/species/O3: -------------------------------------------------------------------------------- 1 | 36000 1.32E+12 2 | 36500 9.95E+11 3 | 37000 8.67E+11 4 | 37500 7.62E+11 5 | 38000 8.36E+11 6 | 38500 2.22E+12 7 | 39000 4.19E+12 8 | 39500 3.32E+12 9 | 40000 1.32E+12 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 23 !CH3O2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t CH4 NO2 O3 2 | 0.000000E+000 4.750000E+013 2.640000E+012 1.320000E+012 3 | 3.000000E+002 4.750000E+013 2.578964E+012 1.289248E+012 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/constraints/photolysis/J4: -------------------------------------------------------------------------------- 1 | 36000 8.95E-03 2 | 36500 8.95E-03 3 | 37000 8.95E-03 4 | 37500 8.90E-03 5 | 38000 8.85E-03 6 | 38500 8.80E-03 7 | 39000 8.75E-03 8 | 39500 8.70E-03 9 | 40000 8.65E-03 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/model/constraints/species/O3: -------------------------------------------------------------------------------- 1 | 36000 1.32E+12 2 | 36500 9.95E+11 3 | 37000 8.67E+11 4 | 37500 7.62E+11 5 | 38000 8.36E+11 6 | 38500 2.22E+12 7 | 39000 4.19E+12 8 | 39500 3.32E+12 9 | 40000 1.32E+12 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/model/constraints/species/O3: -------------------------------------------------------------------------------- 1 | 36000 1.32E+12 2 | 36500 9.95E+11 3 | 37000 8.67E+11 4 | 37500 7.62E+11 5 | 38000 8.36E+11 6 | 38500 2.22E+12 7 | 39000 4.19E+12 8 | 39500 3.32E+12 9 | 40000 1.32E+12 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/model/constraints/photolysis/J4: -------------------------------------------------------------------------------- 1 | 36000 8.95E-03 2 | 36500 8.95E-03 3 | 37000 8.95E-03 4 | 37500 8.90E-03 5 | 38000 8.85E-03 6 | 38500 8.80E-03 7 | 39000 8.75E-03 8 | 39500 8.70E-03 9 | 40000 8.65E-03 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t CH4 NO2 O3 2 | 1.200000E+003 4.750000E+013 4.964444E+012 8.250000E+011 3 | 1.500000E+003 4.750000E+013 6.058264E+012 7.620197E+011 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 23 !CH3O2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 23 !CH3O2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 23 !CH3O2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 23 !CH3O2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 23 !CH3O2 3 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/model/constraints/environment/TEMP: -------------------------------------------------------------------------------- 1 | 0 291.1 2 | 300 293.8 3 | 600 295 4 | 900 288.5 5 | 1200 295.3 6 | 1500 289.7 7 | 1800 289.9 8 | 2100 290.4 9 | 2400 294.6 10 | 2700 292.2 11 | 3000 287.4 12 | 3300 293.5 13 | 3650 288 14 | -------------------------------------------------------------------------------- /model/.gitignore: -------------------------------------------------------------------------------- 1 | # Ignore auto-generated mechanism files and output files in the model/ directory 2 | constraints/environment/* 3 | constraints/photolysis/* 4 | constraints/species/* 5 | configuration/include/* 6 | output/*.output 7 | output/*.pdf 8 | output/reactionRates/* 9 | 10 | !.gitkeep 11 | -------------------------------------------------------------------------------- /tests/tests/short_ext2/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 300 2 | 2 PRESS 1013 3 | 3 RH 80 4 | 5 H2O CALC 5 | 5 DEC 0.19 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /CONTRIBUTING.md: -------------------------------------------------------------------------------- 1 | AtChem2 -- CONTRIBUTE 2 | ===================== 3 | 4 | For information and detailed instructions on how to contribute to the development of **AtChem2**, please refer to the user manual (`doc/AtChem2-Manual.pdf`) and to the related [wiki page](https://github.com/AtChem/AtChem2/wiki/How-to-contribute). 5 | -------------------------------------------------------------------------------- /tests/tests/short_ext3/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 300 2 | 2 PRESS 1013 3 | 3 RH 20 4 | 5 H2O CALC 5 | 5 DEC -0.11 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_1/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 22 !ETHENO3O2 3 | 25 !HOCH2CH2O2 4 | 35 !NO3CH2CO3 5 | 38 !HOCH2CO3 6 | 47 !HCOCO3 7 | -------------------------------------------------------------------------------- /tests/tests/short_ext1/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 300 2 | 2 PRESS 1013 3 | 3 RH NOTUSED 4 | 5 H2O 7.02e+17 5 | 5 DEC CALC 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/short_ext4/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 300 2 | 2 PRESS 1013 3 | 3 RH NOTUSED 4 | 5 H2O 1.72e+17 5 | 5 DEC CALC 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t CH4 NO2 O3 2 | 3.600000E+004 4.745000E+013 2.640000E+011 1.320000E+012 3 | 3.620000E+004 4.751410E+013 1.875445E+011 1.181124E+012 4 | 3.640000E+004 4.757212E+013 1.804911E+011 1.055414E+012 5 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_func/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 22 !ETHENO3O2 3 | 25 !HOCH2CH2O2 4 | 35 !NO3CH2CO3 5 | 38 !HOCH2CO3 6 | 47 !HCOCO3 7 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_kpp/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 22 !ETHENO3O2 3 | 25 !HOCH2CH2O2 4 | 35 !NO3CH2CO3 5 | 38 !HOCH2CO3 6 | 47 !HCOCO3 7 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_stoich/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 22 !ETHENO3O2 3 | 25 !HOCH2CH2O2 4 | 35 !NO3CH2CO3 5 | 38 !HOCH2CO3 6 | 47 !HCOCO3 7 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t CH4 NO2 O3 2 | 3.600000E+004 4.745000E+013 2.640000E+011 1.320000E+012 3 | 3.620000E+004 4.751336E+013 1.805839E+011 1.182726E+012 4 | 3.640000E+004 4.757402E+013 1.733742E+011 1.051299E+012 5 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t CH4 NO2 O3 2 | 3.600000E+004 4.745000E+013 2.640000E+011 1.320000E+012 3 | 3.620000E+004 4.751204E+013 1.806473E+011 1.185586E+012 4 | 3.640000E+004 4.757111E+013 1.734908E+011 1.057593E+012 5 | -------------------------------------------------------------------------------- /tests/tests/short_end_of_day/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 281.95 2 | 2 PRESS 1013.25 3 | 3 RH NOTUSED 4 | 5 H2O 3.06e+17 5 | 5 DEC -0.34 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF CLOSED 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t CH4 NO2 O3 2 | 3.600000E+004 4.745000E+013 2.640000E+011 1.320000E+012 3 | 3.620000E+004 4.751002E+013 1.932279E+011 1.189960E+012 4 | 3.640000E+004 4.757193E+013 1.864697E+011 1.055813E+012 5 | -------------------------------------------------------------------------------- /tests/model_tests/static/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 281.95 2 | 2 PRESS 1013.25 3 | 3 RH NOTUSED 4 | 4 H2O 3.06e+17 5 | 5 DEC -0.34 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF CLOSED 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/short/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 281.95 2 | 2 PRESS 1013.25 3 | 3 RH NOTUSED 4 | 4 H2O 3.06e+17 5 | 5 DEC -0.34 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF CLOSED 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/output/photolysisRatesParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t latitude longitude secx cosx lha sinld cosld eqtime 2 | 0.000000E+000 5.300000E+001 -1.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/output/photolysisRatesParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t latitude longitude secx cosx lha sinld cosld eqtime 2 | 1.200000E+003 5.300000E+001 -1.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 281.95 2 | 2 PRESS 1013.25 3 | 3 RH NOTUSED 4 | 4 H2O 3.06e+17 5 | 5 DEC -0.34 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF CLOSED 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 281.95 2 | 2 PRESS 1013.25 3 | 3 RH NOTUSED 4 | 4 H2O 3.06e+17 5 | 5 DEC -0.34 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF CLOSED 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/short_dense/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 281.95 2 | 2 PRESS 1013.25 3 | 3 RH NOTUSED 4 | 4 H2O 3.06e+17 5 | 5 DEC -0.34 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF CLOSED 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/model/constraints/species/NO2: -------------------------------------------------------------------------------- 1 | 0 2.64E+11 2 | 100 6.78E+11 3 | 200 7.8E+11 4 | 500 9.4E+11 5 | 900 1.32E+12 6 | 1100 4.6E+12 7 | 2000 7.88E+12 8 | 2250 1.11E+13 9 | 2470 8.74E+12 10 | 3021 4.56E+12 11 | 3200 3.99E+12 12 | 3300 3.56E+12 13 | 3400 4.73E+12 14 | 3500 5.21E+12 15 | 3600 6.8E+12 16 | -------------------------------------------------------------------------------- /tests/tests/short_no_pre/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 281.95 2 | 2 PRESS 1013.25 3 | 3 RH NOTUSED 4 | 4 H2O 3.06e+17 5 | 5 DEC -0.34 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF CLOSED 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 288.15 2 | 2 PRESS 1013.25 3 | 3 RH NOTUSED 4 | 4 H2O 4.45e+17 5 | 5 DEC CALC 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC 1 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/output/photolysisRatesParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t latitude longitude secx cosx lha sinld cosld eqtime 2 | 3.600000E+004 5.300000E+001 -1.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 288 2 | 2 PRESS 1010 3 | 3 RH 42 4 | 4 H2O CALC 5 | 5 DEC -0.2976 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC 1 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 288 2 | 2 PRESS 1010 3 | 3 RH NOTUSED 4 | 4 H2O 1.8e+17 5 | 5 DEC CALC 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC 0 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 288 2 | 2 PRESS 1010 3 | 3 RH 42 4 | 4 H2O CALC 5 | 5 DEC -0.2976 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC 1 9 | 9 ROOF CLOSED 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 293 2 | 2 PRESS 1013 3 | 3 RH NOTUSED 4 | 5 H2O 2.538e+17 5 | 5 DEC 0.414 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_1/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 291.45 2 | 2 PRESS 950.2 3 | 3 RH 67.4 4 | 4 H2O CALC 5 | 5 DEC CALC 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 293 2 | 2 PRESS 1013 3 | 3 RH NOTUSED 4 | 5 H2O 2.538e+17 5 | 5 DEC 0.414 6 | 6 BLHEIGHT CONSTRAINED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 293 2 | 2 PRESS 1013 3 | 3 RH NOTUSED 4 | 5 H2O 2.538e+17 5 | 5 DEC 0.414 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC J4 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 288 2 | 2 PRESS 1010 3 | 3 RH NOTUSED 4 | 4 H2O 1.8e+17 5 | 5 DEC CALC 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/output/finalModelState.output.cmp: -------------------------------------------------------------------------------- 1 | O3 601200000123.11877 2 | O -1.0206884655188436E-057 3 | NO2 211799999876.92297 4 | NO 123.08697042538837 5 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/output/finalModelState.output.cmp: -------------------------------------------------------------------------------- 1 | O3 601200000123.41748 2 | O 5.9815857174199094E-061 3 | NO2 211799999876.66544 4 | NO 123.33393927279216 5 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/output/finalModelState.output.cmp: -------------------------------------------------------------------------------- 1 | O3 601199999999.99988 2 | O 0.0000000000000000 3 | NO2 211800000000.00015 4 | NO -4.8487512620071747E-008 5 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/output/finalModelState.output.cmp: -------------------------------------------------------------------------------- 1 | O3 601199999999.99988 2 | O 0.0000000000000000 3 | NO2 211800000000.00015 4 | NO -4.8487512620071747E-008 5 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_func/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 291.45 2 | 2 PRESS 950.2 3 | 3 RH 67.4 4 | 4 H2O CALC 5 | 5 DEC CALC 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_kpp/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 291.45 2 | 2 PRESS 950.2 3 | 3 RH 67.4 4 | 4 H2O CALC 5 | 5 DEC CALC 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_stoich/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 291.45 2 | 2 PRESS 950.2 3 | 3 RH 67.4 4 | 4 H2O CALC 5 | 5 DEC CALC 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 293 2 | 2 PRESS 1013 3 | 3 RH NOTUSED 4 | 5 H2O 2.538e+17 5 | 5 DEC 0.414 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC J4 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 293 2 | 2 PRESS 1013 3 | 3 RH NOTUSED 4 | 5 H2O 2.538e+17 5 | 5 DEC 0.414 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 293 2 | 2 PRESS 1013 3 | 3 RH NOTUSED 4 | 5 H2O 2.538e+17 5 | 5 DEC 0.414 6 | 6 BLHEIGHT CONSTRAINED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 293 2 | 2 PRESS 1013 3 | 3 RH NOTUSED 4 | 5 H2O 2.538e+17 5 | 5 DEC 0.414 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC 0.9 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP 293 2 | 2 PRESS 1013 3 | 3 RH NOTUSED 4 | 5 H2O 2.538e+17 5 | 5 DEC 0.414 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t CH4 NO2 O3 2 | 0.000000E+000 4.745000E+013 2.640000E+011 1.320000E+012 3 | 3.000000E+002 4.754289E+013 2.583730E+011 1.118728E+012 4 | 6.000000E+002 4.766568E+013 2.536929E+011 9.669767E+011 5 | 9.000000E+002 4.785360E+013 2.495619E+011 8.867990E+011 6 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/model/configuration/environmentVariables.config: -------------------------------------------------------------------------------- 1 | 1 TEMP CONSTRAINED 2 | 2 PRESS CONSTRAINED 3 | 3 RH NOTUSED 4 | 5 H2O 2.538e+17 5 | 5 DEC 0.414 6 | 6 BLHEIGHT NOTUSED 7 | 7 DILUTE NOTUSED 8 | 8 JFAC NOTUSED 9 | 9 ROOF OPEN 10 | 10 ASA NOTUSED 11 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/model/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 O 2 | 2 O3 3 | 3 NO 4 | 4 NO2 5 | 5 NO3 6 | 6 O1D 7 | 7 N2O5 8 | 8 OH 9 | 9 HO2 10 | 10 H2 11 | 11 CO 12 | 12 H2O2 13 | 13 HONO 14 | 14 HNO3 15 | 15 HO2NO2 16 | 16 SO2 17 | 17 SO3 18 | 18 HSO3 19 | 19 NA 20 | 20 SA 21 | 21 CL 22 | 22 CH4 23 | 23 CH3O2 24 | 24 CH3OOH 25 | 25 HCHO 26 | 26 CH3NO3 27 | 27 CH3O 28 | 28 CH3O2NO2 29 | 29 CH3OH 30 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/model/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 O 2 | 2 O3 3 | 3 NO 4 | 4 NO2 5 | 5 NO3 6 | 6 O1D 7 | 7 N2O5 8 | 8 OH 9 | 9 HO2 10 | 10 H2 11 | 11 CO 12 | 12 H2O2 13 | 13 HONO 14 | 14 HNO3 15 | 15 HO2NO2 16 | 16 SO2 17 | 17 SO3 18 | 18 HSO3 19 | 19 NA 20 | 20 SA 21 | 21 CL 22 | 22 CH4 23 | 23 CH3O2 24 | 24 CH3OOH 25 | 25 HCHO 26 | 26 CH3NO3 27 | 27 CH3O 28 | 28 CH3O2NO2 29 | 29 CH3OH 30 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/model/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 O 2 | 2 O3 3 | 3 NO 4 | 4 NO2 5 | 5 NO3 6 | 6 O1D 7 | 7 N2O5 8 | 8 OH 9 | 9 HO2 10 | 10 H2 11 | 11 CO 12 | 12 H2O2 13 | 13 HONO 14 | 14 HNO3 15 | 15 HO2NO2 16 | 16 SO2 17 | 17 SO3 18 | 18 HSO3 19 | 19 NA 20 | 20 SA 21 | 21 CL 22 | 22 CH4 23 | 23 CH3O2 24 | 24 CH3OOH 25 | 25 HCHO 26 | 26 CH3NO3 27 | 27 CH3O 28 | 28 CH3O2NO2 29 | 29 CH3OH 30 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/model/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 O 2 | 2 O3 3 | 3 NO 4 | 4 NO2 5 | 5 NO3 6 | 6 O1D 7 | 7 N2O5 8 | 8 OH 9 | 9 HO2 10 | 10 H2 11 | 11 CO 12 | 12 H2O2 13 | 13 HONO 14 | 14 HNO3 15 | 15 HO2NO2 16 | 16 SO2 17 | 17 SO3 18 | 18 HSO3 19 | 19 NA 20 | 20 SA 21 | 21 CL 22 | 22 CH4 23 | 23 CH3O2 24 | 24 CH3OOH 25 | 25 HCHO 26 | 26 CH3NO3 27 | 27 CH3O 28 | 28 CH3O2NO2 29 | 29 CH3OH 30 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 O 2 | 2 O3 3 | 3 NO 4 | 4 NO2 5 | 5 NO3 6 | 6 O1D 7 | 7 N2O5 8 | 8 OH 9 | 9 HO2 10 | 10 H2 11 | 11 CO 12 | 12 H2O2 13 | 13 HONO 14 | 14 HNO3 15 | 15 HO2NO2 16 | 16 SO2 17 | 17 SO3 18 | 18 HSO3 19 | 19 NA 20 | 20 SA 21 | 21 CL 22 | 22 CH4 23 | 23 CH3O2 24 | 24 CH3OOH 25 | 25 HCHO 26 | 26 CH3NO3 27 | 27 CH3O 28 | 28 CH3O2NO2 29 | 29 CH3OH 30 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/model/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 O 2 | 2 O3 3 | 3 NO 4 | 4 NO2 5 | 5 NO3 6 | 6 O1D 7 | 7 N2O5 8 | 8 OH 9 | 9 HO2 10 | 10 H2 11 | 11 CO 12 | 12 H2O2 13 | 13 HONO 14 | 14 HNO3 15 | 15 HO2NO2 16 | 16 SO2 17 | 17 SO3 18 | 18 HSO3 19 | 19 NA 20 | 20 SA 21 | 21 CL 22 | 22 CH4 23 | 23 CH3O2 24 | 24 CH3OOH 25 | 25 HCHO 26 | 26 CH3NO3 27 | 27 CH3O 28 | 28 CH3O2NO2 29 | 29 CH3OH 30 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/model/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 O 2 | 2 O3 3 | 3 NO 4 | 4 NO2 5 | 5 NO3 6 | 6 O1D 7 | 7 N2O5 8 | 8 OH 9 | 9 HO2 10 | 10 H2 11 | 11 CO 12 | 12 H2O2 13 | 13 HONO 14 | 14 HNO3 15 | 15 HO2NO2 16 | 16 SO2 17 | 17 SO3 18 | 18 HSO3 19 | 19 NA 20 | 20 SA 21 | 21 CL 22 | 22 CH4 23 | 23 CH3O2 24 | 24 CH3OOH 25 | 25 HCHO 26 | 26 CH3NO3 27 | 27 CH3O 28 | 28 CH3O2NO2 29 | 29 CH3OH 30 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 O 2 | 2 O3 3 | 3 NO 4 | 4 NO2 5 | 5 NO3 6 | 6 O1D 7 | 7 N2O5 8 | 8 OH 9 | 9 HO2 10 | 10 H2 11 | 11 CO 12 | 12 H2O2 13 | 13 HONO 14 | 14 HNO3 15 | 15 HO2NO2 16 | 16 SO2 17 | 17 SO3 18 | 18 HSO3 19 | 19 NA 20 | 20 SA 21 | 21 CL 22 | 22 CH4 23 | 23 CH3O2 24 | 24 CH3OOH 25 | 25 HCHO 26 | 26 CH3NO3 27 | 27 CH3O 28 | 28 CH3O2NO2 29 | 29 CH3OH 30 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/include/mechanism.species.cmp: -------------------------------------------------------------------------------- 1 | 1 O 2 | 2 O3 3 | 3 NO 4 | 4 NO2 5 | 5 NO3 6 | 6 O1D 7 | 7 N2O5 8 | 8 OH 9 | 9 HO2 10 | 10 H2 11 | 11 CO 12 | 12 H2O2 13 | 13 HONO 14 | 14 HNO3 15 | 15 HO2NO2 16 | 16 SO2 17 | 17 SO3 18 | 18 HSO3 19 | 19 NA 20 | 20 SA 21 | 21 CL 22 | 22 CH4 23 | 23 CH3O2 24 | 24 CH3OOH 25 | 25 HCHO 26 | 26 CH3NO3 27 | 27 CH3O 28 | 28 CH3O2NO2 29 | 29 CH3OH 30 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t CH4 NO2 O3 2 | 0.000000E+000 4.750000E+013 2.640000E+011 1.320000E+012 3 | 9.000000E+002 4.750000E+013 2.462548E+011 1.310749E+012 4 | 1.800000E+003 4.750000E+013 2.298868E+011 1.302149E+012 5 | 2.700000E+003 4.750000E+013 2.147778E+011 1.294160E+012 6 | 3.600000E+003 4.750000E+013 2.007957E+011 1.286733E+012 7 | -------------------------------------------------------------------------------- /model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) 8 | 750 banded preconditioner upper bandwidth 9 | 750 banded preconditioner lower bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-04 atol 2 | 1.0e-06 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/output/environmentVariables.output.cmp: -------------------------------------------------------------------------------- 1 | t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOF ASA RO2 2 | 3.000000E+002 2.497711E+021 2.938003E+002 1.013159E+005 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 0.000000E+000 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/output/environmentVariables.output.cmp: -------------------------------------------------------------------------------- 1 | t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOF ASA RO2 2 | 1.500000E+003 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 6.350550E+002 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 0.000000E+000 3 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-06 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_1/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) 8 | 750 banded preconditioner upper bandwidth 9 | 750 banded preconditioner lower bandwidth 10 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_2/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) 8 | 750 banded preconditioner upper bandwidth 9 | 750 banded preconditioner lower bandwidth 10 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_3/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) 8 | 750 banded preconditioner upper bandwidth 9 | 750 banded preconditioner lower bandwidth 10 | -------------------------------------------------------------------------------- /tests/model_tests/env_model_4/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) 8 | 750 banded preconditioner upper bandwidth 9 | 750 banded preconditioner lower bandwidth 10 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_1/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) 8 | 750 banded preconditioner upper bandwidth 9 | 750 banded preconditioner lower bandwidth 10 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_func/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) 8 | 750 banded preconditioner upper bandwidth 9 | 750 banded preconditioner lower bandwidth 10 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_kpp/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) 8 | 750 banded preconditioner upper bandwidth 9 | 750 banded preconditioner lower bandwidth 10 | -------------------------------------------------------------------------------- /tests/model_tests/spec_model_stoich/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) 8 | 750 banded preconditioner upper bandwidth 9 | 750 banded preconditioner lower bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/output/photolysisRatesParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t latitude longitude secx cosx lha sinld cosld eqtime 2 | 3.600000E+004 5.300000E+001 -1.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 3.620000E+004 5.300000E+001 -1.000000E+000 1.244900E+000 8.032775E-001 -5.057155E-001 3.212708E-001 5.509731E-001 -1.510746E-002 4 | -------------------------------------------------------------------------------- /tests/model_tests/static/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/short/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-04 atol 2 | 1.0e-05 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/.gitignore: -------------------------------------------------------------------------------- 1 | # Ignore output/log files and mechanism files of the test runs 2 | *.log 3 | *.out 4 | *.output 5 | *.mod 6 | *.o 7 | mechanism.f90 8 | mechanism.o 9 | mechanism.prod 10 | mechanism.reac 11 | mechanism.ro2 12 | mechanism.species 13 | mechanism.so 14 | customRateFuncs.o 15 | photolysis-rates 16 | tests/*/output/reactionRates/* 17 | model_tests/*/output/reactionRates/* 18 | 19 | # Except configuration and reference files 20 | !*.cmp 21 | !*.config 22 | !*.parameters 23 | -------------------------------------------------------------------------------- /tests/model_tests/firstorder/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/short_dense/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 3 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/short_end_of_day/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t O3 2 | 8.460000E+004 0.000000E+000 3 | 8.490000E+004 0.000000E+000 4 | 8.520000E+004 0.000000E+000 5 | 8.550000E+004 0.000000E+000 6 | 8.580000E+004 0.000000E+000 7 | 8.610000E+004 0.000000E+000 8 | 8.640000E+004 0.000000E+000 9 | 8.670000E+004 0.000000E+000 10 | 8.700000E+004 0.000000E+000 11 | 8.730000E+004 0.000000E+000 12 | 8.760000E+004 0.000000E+000 13 | -------------------------------------------------------------------------------- /tests/tests/short_ext1/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/short_ext2/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/short_ext3/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/short_ext4/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/short_no_pre/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 1 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/output/photolysisRatesParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t latitude longitude secx cosx lha sinld cosld eqtime 2 | 3.600000E+004 5.300000E+001 -1.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 3.620000E+004 5.300000E+001 -1.000000E+000 1.244974E+000 8.032297E-001 -5.058947E-001 3.212708E-001 5.509731E-001 -1.510746E-002 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/output/photolysisRatesParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t latitude longitude secx cosx lha sinld cosld eqtime 2 | 3.600000E+004 5.300000E+001 -1.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 3.620000E+004 5.300000E+001 -1.000000E+000 1.245106E+000 8.031442E-001 -5.062147E-001 3.212708E-001 5.509731E-001 -1.510746E-002 4 | -------------------------------------------------------------------------------- /tests/tests/short_end_of_day/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-03 atol 2 | 1.0e-04 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-04 atol 2 | 1.0e-05 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/output/photolysisRatesParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t latitude longitude secx cosx lha sinld cosld eqtime 2 | 3.600000E+004 5.300000E+001 -1.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 3.620000E+004 5.300000E+001 -1.000000E+000 1.245309E+000 8.030135E-001 -5.067041E-001 3.212708E-001 5.509731E-001 -1.510746E-002 4 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-04 atol 2 | 1.0e-05 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-04 atol 2 | 1.0e-05 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-04 atol 2 | 1.0e-05 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/short/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/output/mainSolverParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL 2 | 3.00E+02 1.20239099E-001 1.20239099E-001 379 50 138 178 7 0 177 41 5 5 0 13446 105 0 188 188 3 339 188 0 3 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-04 atol 2 | 1.0e-07 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/output/mainSolverParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL 2 | 1.50E+03 1.36103062E+000 1.36103062E+000 359 50 174 212 6 0 211 42 5 5 0 13236 105 0 237 237 4 419 237 0 3 | -------------------------------------------------------------------------------- /tests/tests/short_dense/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/short_ext1/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/short_ext2/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/short_ext3/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/short_ext4/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/short/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 26 !HOCH2CH2O2 3 | 28 !BUT2OLO2 4 | 30 !CH3O2 5 | 31 !CH3CO3 6 | 32 !HCOCH2O2 7 | 43 !MEKAO2 8 | 44 !MEKBO2 9 | 45 !MEKCO2 10 | 46 !C2H5O2 11 | 57 !HOCH2CO3 12 | 76 !BIACETO2 13 | 77 !HO1CO3C4O2 14 | 78 !CO2C3CO3 15 | 79 !CH3COCH2O2 16 | 80 !C2H5CO3 17 | 81 !HCOCO3 18 | 101 !HOC2H4CO3 19 | -------------------------------------------------------------------------------- /tests/tests/short_end_of_day/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/short_no_pre/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/model/configuration/solver.parameters: -------------------------------------------------------------------------------- 1 | 1.0e-04 atol 2 | 1.0e-06 rtol 3 | 1.0e-04 delta main 4 | 100 Lookback 5 | 100 maximum solver step size (seconds) 6 | 100000 maximum number of steps in solver 7 | 2 Solver Type (1 = SPGMR, 2 = SPGMR + Banded Preconditioner, 3 = Dense) 8 | 750 Banded Preconditioner Upper Bandwidth 9 | 750 Banded Preconditioner Lower Bandwidth 10 | -------------------------------------------------------------------------------- /tests/tests/short_ext1/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 26 !HOCH2CH2O2 3 | 28 !BUT2OLO2 4 | 30 !CH3O2 5 | 31 !CH3CO3 6 | 32 !HCOCH2O2 7 | 43 !MEKAO2 8 | 44 !MEKBO2 9 | 45 !MEKCO2 10 | 46 !C2H5O2 11 | 57 !HOCH2CO3 12 | 76 !BIACETO2 13 | 77 !HO1CO3C4O2 14 | 78 !CO2C3CO3 15 | 79 !CH3COCH2O2 16 | 80 !C2H5CO3 17 | 81 !HCOCO3 18 | 101 !HOC2H4CO3 19 | -------------------------------------------------------------------------------- /tests/tests/short_ext2/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 26 !HOCH2CH2O2 3 | 28 !BUT2OLO2 4 | 30 !CH3O2 5 | 31 !CH3CO3 6 | 32 !HCOCH2O2 7 | 43 !MEKAO2 8 | 44 !MEKBO2 9 | 45 !MEKCO2 10 | 46 !C2H5O2 11 | 57 !HOCH2CO3 12 | 76 !BIACETO2 13 | 77 !HO1CO3C4O2 14 | 78 !CO2C3CO3 15 | 79 !CH3COCH2O2 16 | 80 !C2H5CO3 17 | 81 !HCOCO3 18 | 101 !HOC2H4CO3 19 | -------------------------------------------------------------------------------- /tests/tests/short_ext3/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 26 !HOCH2CH2O2 3 | 28 !BUT2OLO2 4 | 30 !CH3O2 5 | 31 !CH3CO3 6 | 32 !HCOCH2O2 7 | 43 !MEKAO2 8 | 44 !MEKBO2 9 | 45 !MEKCO2 10 | 46 !C2H5O2 11 | 57 !HOCH2CO3 12 | 76 !BIACETO2 13 | 77 !HO1CO3C4O2 14 | 78 !CO2C3CO3 15 | 79 !CH3COCH2O2 16 | 80 !C2H5CO3 17 | 81 !HCOCO3 18 | 101 !HOC2H4CO3 19 | -------------------------------------------------------------------------------- /tests/tests/short_ext4/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 26 !HOCH2CH2O2 3 | 28 !BUT2OLO2 4 | 30 !CH3O2 5 | 31 !CH3CO3 6 | 32 !HCOCH2O2 7 | 43 !MEKAO2 8 | 44 !MEKBO2 9 | 45 !MEKCO2 10 | 46 !C2H5O2 11 | 57 !HOCH2CO3 12 | 76 !BIACETO2 13 | 77 !HO1CO3C4O2 14 | 78 !CO2C3CO3 15 | 79 !CH3COCH2O2 16 | 80 !C2H5CO3 17 | 81 !HCOCO3 18 | 101 !HOC2H4CO3 19 | -------------------------------------------------------------------------------- /tests/tests/short_dense/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 26 !HOCH2CH2O2 3 | 28 !BUT2OLO2 4 | 30 !CH3O2 5 | 31 !CH3CO3 6 | 32 !HCOCH2O2 7 | 43 !MEKAO2 8 | 44 !MEKBO2 9 | 45 !MEKCO2 10 | 46 !C2H5O2 11 | 57 !HOCH2CO3 12 | 76 !BIACETO2 13 | 77 !HO1CO3C4O2 14 | 78 !CO2C3CO3 15 | 79 !CH3COCH2O2 16 | 80 !C2H5CO3 17 | 81 !HCOCO3 18 | 101 !HOC2H4CO3 19 | -------------------------------------------------------------------------------- /tests/tests/short_no_pre/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 26 !HOCH2CH2O2 3 | 28 !BUT2OLO2 4 | 30 !CH3O2 5 | 31 !CH3CO3 6 | 32 !HCOCH2O2 7 | 43 !MEKAO2 8 | 44 !MEKBO2 9 | 45 !MEKCO2 10 | 46 !C2H5O2 11 | 57 !HOCH2CO3 12 | 76 !BIACETO2 13 | 77 !HO1CO3C4O2 14 | 78 !CO2C3CO3 15 | 79 !CH3COCH2O2 16 | 80 !C2H5CO3 17 | 81 !HCOCO3 18 | 101 !HOC2H4CO3 19 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/short_end_of_day/model/configuration/include/mechanism.ro2.cmp: -------------------------------------------------------------------------------- 1 | ! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py 2 | 26 !HOCH2CH2O2 3 | 28 !BUT2OLO2 4 | 30 !CH3O2 5 | 31 !CH3CO3 6 | 32 !HCOCH2O2 7 | 43 !MEKAO2 8 | 44 !MEKBO2 9 | 45 !MEKCO2 10 | 46 !C2H5O2 11 | 57 !HOCH2CO3 12 | 76 !BIACETO2 13 | 77 !HO1CO3C4O2 14 | 78 !CO2C3CO3 15 | 79 !CH3COCH2O2 16 | 80 !C2H5CO3 17 | 81 !HCOCO3 18 | 101 !HOC2H4CO3 19 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/customRateFuncs.f90: -------------------------------------------------------------------------------- 1 | ! ******************************************************************** ! 2 | ! ATCHEM2 -- MODULE customRateFunctions 3 | ! 4 | ! This module contains user-defined functions that can be referenced 5 | ! in the mechanism file 6 | ! ******************************************************************** ! 7 | module custom_functions_mod 8 | implicit none 9 | 10 | contains 11 | 12 | !Define your functions here. 13 | 14 | end module custom_functions_mod -------------------------------------------------------------------------------- /tests/model_tests/firstorder/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 1500 number of steps 2 | 1.0 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 1.0 rates output step size 6 | 0 model start time 7 | 1.0 jacobian output step size 8 | 52.943e00 Latitude 9 | 0.00e+00 Longitude 10 | 19 day 11 | 11 month 12 | 2008 year 13 | 100.0 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/model_tests/secondorder/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 1500 number of steps 2 | 1.0 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 1.0 rates output step size 6 | 0 model start time 7 | 1.0 jacobian output step size 8 | 52.943e00 Latitude 9 | 0.00e+00 Longitude 10 | 19 day 11 | 11 month 12 | 2008 year 13 | 100.0 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/short/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 3 number of steps 2 | 300.0e+00 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 600 rates output step size 6 | 43200 model start time 7 | 300 jacobian output step size 8 | 52.943e00 Latitude 9 | 0.00e+00 Longitude 10 | 19 day 11 | 11 month 12 | 2008 year 13 | 300 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/short_ext1/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 3 number of steps 2 | 300.0e+00 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 600 rates output step size 6 | 43200 model start time 7 | 0 jacobian output step size 8 | 49.2 Latitude 9 | -2.1 Longitude 10 | 25 day 11 | 08 month 12 | 2010 year 13 | 300 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/model_tests/static/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 100 number of steps 2 | 30000.0e+00 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 600 rates output step size 6 | 43200 model start time 7 | 300 jacobian output step size 8 | 52.943e00 Latitude 9 | 0.00e+00 Longitude 10 | 19 day 11 | 11 month 12 | 2008 year 13 | 300 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/short_dense/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 3 number of steps 2 | 300.0e+00 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 600 rates output step size 6 | 43200 model start time 7 | 300 jacobian output step size 8 | 52.943e00 Latitude 9 | 0.00e+00 Longitude 10 | 19 day 11 | 11 month 12 | 2008 year 13 | 300 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/short_ext2/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 3 number of steps 2 | 300.0e+00 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 600 rates output step size 6 | 43200 model start time 7 | 0 jacobian output step size 8 | 49.2 Latitude 9 | -2.1 Longitude 10 | 25 day 11 | 08 month 12 | 2010 year 13 | 300 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/short_ext3/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 3 number of steps 2 | 300.0e+00 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 600 rates output step size 6 | 43200 model start time 7 | 0 jacobian output step size 8 | 49.2 Latitude 9 | -2.1 Longitude 10 | 25 day 11 | 02 month 12 | 2010 year 13 | 300 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/short_ext4/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 3 number of steps 2 | 300.0e+00 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 600 rates output step size 6 | 43200 model start time 7 | 0 jacobian output step size 8 | 49.2 Latitude 9 | -2.1 Longitude 10 | 25 day 11 | 02 month 12 | 2010 year 13 | 300 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/short_no_pre/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 3 number of steps 2 | 300.0e+00 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 600 rates output step size 6 | 43200 model start time 7 | 300 jacobian output step size 8 | 52.943e00 Latitude 9 | 0.00e+00 Longitude 10 | 19 day 11 | 11 month 12 | 2008 year 13 | 300 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/short_end_of_day/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 10 number of steps 2 | 300.0e+00 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 600 rates output step size 6 | 84600 model start time 7 | 300 jacobian output step size 8 | 52.943e00 Latitude 9 | 0.00e+00 Longitude 10 | 31 day 11 | 12 month 12 | 2008 year 13 | 300 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes2/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 1 number of steps 2 | 300 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 3600 rates output step size 6 | 0 model start time 7 | 0 jacobian output step size 8 | 53 Latitude 9 | -1 Longitude 10 | 01 day 11 | 07 month 12 | 2007 year 13 | 300 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/short_ext1/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t O3 NO2 NO HCHO CH3CHO MEK 2 | 4.320000E+004 1.200000E+012 6.200000E+009 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 4.350000E+004 1.199231E+012 3.927130E+009 1.301437E+009 5.318476E+007 1.158474E+008 9.002775E+007 4 | 4.380000E+004 1.196848E+012 3.326691E+009 1.098290E+009 1.128015E+008 2.078047E+008 1.708390E+008 5 | 4.410000E+004 1.194363E+012 2.844137E+009 9.349845E+008 1.712671E+008 2.617579E+008 2.371131E+008 6 | -------------------------------------------------------------------------------- /tests/tests/short_ext2/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t O3 NO2 NO HCHO CH3CHO MEK 2 | 4.320000E+004 1.200000E+012 6.200000E+009 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 4.350000E+004 1.199240E+012 3.930592E+009 1.301303E+009 5.298315E+007 1.154839E+008 8.970849E+007 4 | 4.380000E+004 1.196868E+012 3.331465E+009 1.098792E+009 1.123949E+008 2.073480E+008 1.703102E+008 5 | 4.410000E+004 1.194395E+012 2.849630E+009 9.358861E+008 1.706929E+008 2.613911E+008 2.364676E+008 6 | -------------------------------------------------------------------------------- /tests/tests/short_ext3/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t O3 NO2 NO HCHO CH3CHO MEK 2 | 4.320000E+004 1.200000E+012 6.200000E+009 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 4.350000E+004 1.201078E+012 4.676733E+009 1.346462E+009 8.951068E+006 2.278057E+007 1.588969E+007 4 | 4.380000E+004 1.200773E+012 4.521181E+009 1.296163E+009 2.099951E+007 5.505026E+007 3.591775E+007 5 | 4.410000E+004 1.200457E+012 4.368636E+009 1.250353E+009 3.389152E+007 8.631449E+007 5.605780E+007 6 | -------------------------------------------------------------------------------- /tests/tests/short_ext4/output/speciesConcentrations.output.cmp: -------------------------------------------------------------------------------- 1 | t O3 NO2 NO HCHO CH3CHO MEK 2 | 4.320000E+004 1.200000E+012 6.200000E+009 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 4.350000E+004 1.201072E+012 4.760468E+009 1.295011E+009 7.244708E+006 1.842933E+007 1.289870E+007 4 | 4.380000E+004 1.200820E+012 4.628971E+009 1.253893E+009 1.713975E+007 4.553283E+007 2.953725E+007 5 | 4.410000E+004 1.200562E+012 4.497847E+009 1.216401E+009 2.773369E+007 7.241010E+007 4.646396E+007 6 | -------------------------------------------------------------------------------- /tests/tests/spec_no_env_yes1/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 4 number of steps 2 | 900 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 3600 rates output step size 6 | 0 model start time 7 | 0 jacobian output step size 8 | 53 Latitude 9 | -1 Longitude 10 | 01 day 11 | 07 month 12 | 2007 year 13 | 3600 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 2 number of steps 2 | 200 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 3600 rates output step size 6 | 36000 model start time 7 | 0 jacobian output step size 8 | 53 Latitude 9 | -1 Longitude 10 | 01 day 11 | 07 month 12 | 2007 year 13 | 400 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_yes/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 1 number of steps 2 | 300 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 3600 rates output step size 6 | 1200 model start time 7 | 108000 jacobian output step size 8 | 53 Latitude 9 | -1 Longitude 10 | 01 day 11 | 07 month 12 | 2007 year 13 | 3600 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 3 number of steps 2 | 300 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 3600 rates output step size 6 | 0 model start time 7 | 0 jacobian output step size 8 | 53 Latitude 9 | -1 Longitude 10 | 01 day 11 | 07 month 12 | 2007 year 13 | 300 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/short/output/photolysisRatesParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t latitude longitude secx cosx lha sinld cosld eqtime 2 | 4.320000E+004 5.294300E+001 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 4.350000E+004 5.294300E+001 0.000000E+000 3.333695E+000 2.999675E-001 8.415130E-002 -2.661348E-001 5.681127E-001 6.233208E-002 4 | 4.380000E+004 5.294300E+001 0.000000E+000 3.346820E+000 2.987911E-001 1.059679E-001 -2.661348E-001 5.681127E-001 6.233208E-002 5 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 2 number of steps 2 | 200 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 400 rates output step size 6 | 36000 model start time 7 | 0 jacobian output step size 8 | 53 Latitude 9 | -1 Longitude 10 | 01 day 11 | 07 month 12 | 2007 year 13 | 400 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/short_dense/output/photolysisRatesParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t latitude longitude secx cosx lha sinld cosld eqtime 2 | 4.320000E+004 5.294300E+001 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 4.350000E+004 5.294300E+001 0.000000E+000 3.333695E+000 2.999675E-001 8.415130E-002 -2.661348E-001 5.681127E-001 6.233208E-002 4 | 4.380000E+004 5.294300E+001 0.000000E+000 3.346820E+000 2.987911E-001 1.059679E-001 -2.661348E-001 5.681127E-001 6.233208E-002 5 | -------------------------------------------------------------------------------- /tests/tests/short_ext1/output/photolysisRatesParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t latitude longitude secx cosx lha sinld cosld eqtime 2 | 4.320000E+004 4.920000E+001 -2.100000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 4.350000E+004 4.920000E+001 -2.100000E+000 1.273129E+000 7.854661E-001 4.862766E-002 1.448830E-001 6.413412E-001 -1.095879E-002 4 | 4.380000E+004 4.920000E+001 -2.100000E+000 1.274579E+000 7.845727E-001 7.178144E-002 1.448830E-001 6.413412E-001 -1.095879E-002 5 | -------------------------------------------------------------------------------- /tests/tests/short_ext2/output/photolysisRatesParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t latitude longitude secx cosx lha sinld cosld eqtime 2 | 4.320000E+004 4.920000E+001 -2.100000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 4.350000E+004 4.920000E+001 -2.100000E+000 1.275721E+000 7.838707E-001 4.855699E-002 1.429652E-001 6.416618E-001 -1.095879E-002 4 | 4.380000E+004 4.920000E+001 -2.100000E+000 1.277171E+000 7.829806E-001 7.165170E-002 1.429652E-001 6.416618E-001 -1.095879E-002 5 | -------------------------------------------------------------------------------- /tests/tests/short_ext3/output/photolysisRatesParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t latitude longitude secx cosx lha sinld cosld eqtime 2 | 4.320000E+004 4.920000E+001 -2.100000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 4.350000E+004 4.920000E+001 -2.100000E+000 1.765631E+000 5.663697E-001 -4.993461E-004 -8.310163E-002 6.494714E-001 -5.896914E-002 4 | 4.380000E+004 4.920000E+001 -2.100000E+000 1.766183E+000 5.661926E-001 2.335594E-002 -8.310163E-002 6.494714E-001 -5.896914E-002 5 | -------------------------------------------------------------------------------- /tests/tests/short_ext4/output/photolysisRatesParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t latitude longitude secx cosx lha sinld cosld eqtime 2 | 4.320000E+004 4.920000E+001 -2.100000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 4.350000E+004 4.920000E+001 -2.100000E+000 1.918265E+000 5.213045E-001 9.005211E-004 -1.233787E-001 6.446834E-001 -5.896914E-002 4 | 4.380000E+004 4.920000E+001 -2.100000E+000 1.919011E+000 5.211018E-001 2.509381E-002 -1.233787E-001 6.446834E-001 -5.896914E-002 5 | -------------------------------------------------------------------------------- /tests/tests/short_no_pre/output/photolysisRatesParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t latitude longitude secx cosx lha sinld cosld eqtime 2 | 4.320000E+004 5.294300E+001 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 4.350000E+004 5.294300E+001 0.000000E+000 3.333695E+000 2.999675E-001 8.415130E-002 -2.661348E-001 5.681127E-001 6.233208E-002 4 | 4.380000E+004 5.294300E+001 0.000000E+000 3.346820E+000 2.987911E-001 1.059679E-001 -2.661348E-001 5.681127E-001 6.233208E-002 5 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 2 number of steps 2 | 200 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 400 rates output step size 6 | 36000 model start time 7 | 0 jacobian output step size 8 | 53 Latitude 9 | -1 Longitude 10 | 01 day 11 | 07 month 12 | 2007 year 13 | 400 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 2 number of steps 2 | 200 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 400 rates output step size 6 | 36000 model start time 7 | 0 jacobian output step size 8 | 53 Latitude 9 | -1 Longitude 10 | 01 day 11 | 07 month 12 | 2007 year 13 | 400 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no_with_photo/model/configuration/model.parameters: -------------------------------------------------------------------------------- 1 | 2 number of steps 2 | 200 step size (seconds) 3 | 2 Species Interpolation Method (pw constant = 1, pw linear = 2) 4 | 2 Conditions Interpolation Method (pw constant = 1, pw linear = 2) 5 | 3600 rates output step size 6 | 36000 model start time 7 | 0 jacobian output step size 8 | 53 Latitude 9 | -1 Longitude 10 | 01 day 11 | 07 month 12 | 2007 year 13 | 400 Reaction Rates Output Step Size 14 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_plus_fixed_env_no/output/photolysisRatesParameters.output.cmp: -------------------------------------------------------------------------------- 1 | t latitude longitude secx cosx lha sinld cosld eqtime 2 | 0.000000E+000 5.300000E+001 -1.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 3 | 3.000000E+002 5.300000E+001 -1.000000E+000 1.000000E+002 0.000000E+000 -3.116729E+000 3.212708E-001 5.509731E-001 -1.510746E-002 4 | 6.000000E+002 5.300000E+001 -1.000000E+000 1.000000E+002 0.000000E+000 -3.094925E+000 3.212708E-001 5.509731E-001 -1.510746E-002 5 | -------------------------------------------------------------------------------- /tests/tests/spec_yes_env_no/output/environmentVariables.output.cmp: -------------------------------------------------------------------------------- 1 | t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOF ASA RO2 2 | 3.620000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 6.273163E+005 3 | 3.640000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 5.654878E+005 4 | --------------------------------------------------------------------------------