├── .circleci └── config.yml ├── .clang-format ├── .codecov.yml ├── .gitattributes ├── .githooks ├── LICENSE-C++ ├── LICENSE-Python ├── canonicalize_filename.sh ├── license_maintainer.py ├── pre-commit ├── pre-commit-clang-format └── pre-commit-license-maintainer ├── .github ├── mrcpp-codecov.yml ├── mrcpp-gha.yml └── workflows │ ├── build-test.yml │ └── code-coverage.yml ├── .gitignore ├── .readthedocs.yml ├── .zenodo.json ├── CMakeLists.txt ├── CONTRIBUTING.md ├── LICENSE ├── README.md ├── VERSION ├── api ├── CMakeLists.txt ├── Gaussians ├── MWFunctions ├── MWOperators ├── Parallel ├── Plotter ├── Printer ├── Timer ├── constants.h ├── macros.h └── mrcpp_declarations.h ├── cmake ├── .gitignore ├── MRCPPConfig.cmake.in ├── README.md ├── autocmake.yml ├── autocmake │ ├── __init__.py │ ├── configure.py │ ├── external │ │ ├── __init__.py │ │ └── docopt.py │ ├── extract.py │ ├── generate.py │ ├── interpolate.py │ ├── parse_rst.py │ └── parse_yaml.py ├── compiler_flags │ ├── CXXFlags.cmake │ ├── Clang.CXX.cmake │ ├── GNU.CXX.cmake │ └── Intel.CXX.cmake ├── custom │ ├── binary-info.cmake │ ├── examples.cmake │ ├── feature_summary.cmake │ ├── main.cmake │ ├── mpi.cmake │ ├── mw_filters.cmake │ ├── omp.cmake │ ├── static_library.cmake │ └── tests.cmake ├── downloaded │ ├── autocmake_cc.cmake │ ├── autocmake_code_coverage.cmake │ ├── autocmake_cxx.cmake │ ├── autocmake_default_build_paths.cmake │ ├── autocmake_safeguards.cmake │ ├── autocmake_save_flags.cmake │ └── autocmake_src.cmake └── update.py ├── config.h.in ├── docs ├── .gitignore ├── Doxyfile.in ├── Makefile ├── _static │ └── default.css ├── conf.py ├── gfx │ ├── git-master.png │ ├── git-release.png │ ├── logo.jpg │ └── logo.png ├── index.rst ├── install.rst ├── make.bat ├── mrcpp_api │ ├── gaussians.rst │ ├── introduction.rst │ ├── mwfunctions.rst │ ├── mwoperators.rst │ ├── parallel.rst │ ├── plotter.rst │ ├── printer.rst │ └── timer.rst ├── programmers_manual │ ├── BoundingBox.rst │ ├── ConvolutionCalculator.rst │ ├── ConvolutionOperator.rst │ ├── CornerOperatorTree.rst │ ├── CrossCorrelationCache.rst │ ├── HeatKernel.rst │ ├── HeatOperator.rst │ ├── InterpolatingBasis.rst │ ├── JpowerIntegrals.rst │ ├── LegendreBasis.rst │ ├── MWNode.rst │ ├── MWTree.rst │ ├── MultiResolutionAnalysis.rst │ ├── OperatorNode.rst │ ├── OperatorTree.rst │ ├── SchrodingerEvolution_CrossCorrelation.rst │ ├── TimeEvolutionOperator.rst │ ├── TimeEvolution_CrossCorrelationCalculator.rst │ ├── clang_tidy.rst │ ├── complex_apply.rst │ ├── overview.rst │ └── special_functions.rst ├── requirements.txt └── snippets │ └── CMakeLists.txt ├── examples ├── CMakeLists.txt ├── addition.cpp ├── derivative.cpp ├── mpi_matrix.cpp ├── mpi_send_tree.cpp ├── mpi_shared_tree.cpp ├── multiplication.cpp ├── poisson.cpp ├── projection.cpp ├── scf.cpp ├── schrodinger_semigroup1d.cpp └── tree_cleaner.cpp ├── external └── upstream │ └── fetch_eigen3.cmake ├── pilot ├── CMakeLists.txt └── mrcpp.cpp.sample ├── setup ├── share └── mwfilters │ ├── I_G0_0 │ ├── I_G0_1 │ ├── I_G0_10 │ ├── I_G0_11 │ ├── I_G0_12 │ ├── I_G0_13 │ ├── I_G0_14 │ ├── I_G0_15 │ ├── I_G0_16 │ ├── I_G0_17 │ ├── I_G0_18 │ ├── I_G0_19 │ ├── I_G0_2 │ ├── I_G0_20 │ ├── I_G0_21 │ ├── I_G0_22 │ ├── I_G0_23 │ ├── I_G0_24 │ ├── I_G0_25 │ ├── I_G0_26 │ ├── I_G0_27 │ ├── I_G0_28 │ ├── I_G0_29 │ ├── I_G0_3 │ ├── I_G0_30 │ ├── I_G0_31 │ ├── I_G0_32 │ ├── I_G0_33 │ ├── I_G0_34 │ ├── I_G0_35 │ ├── I_G0_36 │ ├── I_G0_37 │ ├── I_G0_38 │ ├── I_G0_39 │ ├── I_G0_4 │ ├── I_G0_40 │ ├── I_G0_41 │ ├── I_G0_5 │ ├── I_G0_6 │ ├── I_G0_7 │ ├── I_G0_8 │ ├── I_G0_9 │ ├── I_H0_0 │ ├── I_H0_1 │ ├── I_H0_10 │ ├── I_H0_11 │ ├── I_H0_12 │ ├── I_H0_13 │ ├── I_H0_14 │ ├── I_H0_15 │ ├── I_H0_16 │ ├── I_H0_17 │ ├── I_H0_18 │ ├── I_H0_19 │ ├── I_H0_2 │ ├── I_H0_20 │ ├── I_H0_21 │ ├── I_H0_22 │ ├── I_H0_23 │ ├── I_H0_24 │ ├── I_H0_25 │ ├── I_H0_26 │ ├── I_H0_27 │ ├── I_H0_28 │ ├── I_H0_29 │ ├── I_H0_3 │ ├── I_H0_30 │ ├── I_H0_31 │ ├── I_H0_32 │ ├── I_H0_33 │ ├── I_H0_34 │ ├── I_H0_35 │ ├── I_H0_36 │ ├── I_H0_37 │ ├── I_H0_38 │ ├── I_H0_39 │ ├── I_H0_4 │ ├── I_H0_40 │ ├── I_H0_41 │ ├── I_H0_5 │ ├── I_H0_6 │ ├── I_H0_7 │ ├── I_H0_8 │ ├── I_H0_9 │ ├── I_MultiWaveletFilters_0.txt │ ├── I_MultiWaveletFilters_1.txt │ ├── I_MultiWaveletFilters_10.txt │ ├── I_MultiWaveletFilters_11.txt │ ├── I_MultiWaveletFilters_12.txt │ ├── I_MultiWaveletFilters_13.txt │ ├── I_MultiWaveletFilters_14.txt │ ├── I_MultiWaveletFilters_15.txt │ ├── I_MultiWaveletFilters_16.txt │ ├── I_MultiWaveletFilters_2.txt │ ├── I_MultiWaveletFilters_3.txt │ ├── I_MultiWaveletFilters_4.txt │ ├── I_MultiWaveletFilters_5.txt │ ├── I_MultiWaveletFilters_6.txt │ ├── I_MultiWaveletFilters_7.txt │ ├── I_MultiWaveletFilters_8.txt │ ├── I_MultiWaveletFilters_9.txt │ ├── I_b-spline-deriv1.txt │ ├── I_b-spline-deriv2.txt │ ├── I_b-spline-deriv3.txt │ ├── I_c_left_1 │ ├── I_c_left_10 │ ├── I_c_left_11 │ ├── I_c_left_12 │ ├── I_c_left_13 │ ├── I_c_left_14 │ ├── I_c_left_15 │ ├── I_c_left_16 │ ├── I_c_left_17 │ ├── I_c_left_18 │ ├── I_c_left_19 │ ├── I_c_left_2 │ ├── I_c_left_20 │ ├── I_c_left_21 │ ├── I_c_left_22 │ ├── I_c_left_23 │ ├── I_c_left_24 │ ├── I_c_left_25 │ ├── I_c_left_26 │ ├── I_c_left_27 │ ├── I_c_left_28 │ ├── I_c_left_29 │ ├── I_c_left_3 │ ├── I_c_left_30 │ ├── I_c_left_31 │ ├── I_c_left_32 │ ├── I_c_left_33 │ ├── I_c_left_34 │ ├── I_c_left_35 │ ├── I_c_left_36 │ ├── I_c_left_37 │ ├── I_c_left_38 │ ├── I_c_left_39 │ ├── I_c_left_4 │ ├── I_c_left_40 │ ├── I_c_left_41 │ ├── I_c_left_5 │ ├── I_c_left_6 │ ├── I_c_left_7 │ ├── I_c_left_8 │ ├── I_c_left_9 │ ├── I_c_right_1 │ ├── I_c_right_10 │ ├── I_c_right_11 │ ├── I_c_right_12 │ ├── I_c_right_13 │ ├── I_c_right_14 │ ├── I_c_right_15 │ ├── I_c_right_16 │ ├── I_c_right_17 │ ├── I_c_right_18 │ ├── I_c_right_19 │ ├── I_c_right_2 │ ├── I_c_right_20 │ ├── I_c_right_21 │ ├── I_c_right_22 │ ├── I_c_right_23 │ ├── I_c_right_24 │ ├── I_c_right_25 │ ├── I_c_right_26 │ ├── I_c_right_27 │ ├── I_c_right_28 │ ├── I_c_right_29 │ ├── I_c_right_3 │ ├── I_c_right_30 │ ├── I_c_right_31 │ ├── I_c_right_32 │ ├── I_c_right_33 │ ├── I_c_right_34 │ ├── I_c_right_35 │ ├── I_c_right_36 │ ├── I_c_right_37 │ ├── I_c_right_38 │ ├── I_c_right_39 │ ├── I_c_right_4 │ ├── I_c_right_40 │ ├── I_c_right_41 │ ├── I_c_right_5 │ ├── I_c_right_6 │ ├── I_c_right_7 │ ├── I_c_right_8 │ ├── I_c_right_9 │ ├── I_ph_deriv_1.txt │ ├── I_ph_deriv_2.txt │ ├── L_G0_0 │ ├── L_G0_1 │ ├── L_G0_10 │ ├── L_G0_11 │ ├── L_G0_12 │ ├── L_G0_13 │ ├── L_G0_14 │ ├── L_G0_15 │ ├── L_G0_16 │ ├── L_G0_17 │ ├── L_G0_18 │ ├── L_G0_19 │ ├── L_G0_2 │ ├── L_G0_20 │ ├── L_G0_21 │ ├── L_G0_22 │ ├── L_G0_23 │ ├── L_G0_24 │ ├── L_G0_25 │ ├── L_G0_26 │ ├── L_G0_27 │ ├── L_G0_28 │ ├── L_G0_29 │ ├── L_G0_3 │ ├── L_G0_30 │ ├── L_G0_31 │ ├── L_G0_32 │ ├── L_G0_33 │ ├── L_G0_34 │ ├── L_G0_35 │ ├── L_G0_36 │ ├── L_G0_37 │ ├── L_G0_38 │ ├── L_G0_39 │ ├── L_G0_4 │ ├── L_G0_40 │ ├── L_G0_41 │ ├── L_G0_5 │ ├── L_G0_6 │ ├── L_G0_7 │ ├── L_G0_8 │ ├── L_G0_9 │ ├── L_H0_0 │ ├── L_H0_1 │ ├── L_H0_10 │ ├── L_H0_11 │ ├── L_H0_12 │ ├── L_H0_13 │ ├── L_H0_14 │ ├── L_H0_15 │ ├── L_H0_16 │ ├── L_H0_17 │ ├── L_H0_18 │ ├── L_H0_19 │ ├── L_H0_2 │ ├── L_H0_20 │ ├── L_H0_21 │ ├── L_H0_22 │ ├── L_H0_23 │ ├── L_H0_24 │ ├── L_H0_25 │ ├── L_H0_26 │ ├── L_H0_27 │ ├── L_H0_28 │ ├── L_H0_29 │ ├── L_H0_3 │ ├── L_H0_30 │ ├── L_H0_31 │ ├── L_H0_32 │ ├── L_H0_33 │ ├── L_H0_34 │ ├── L_H0_35 │ ├── L_H0_36 │ ├── L_H0_37 │ ├── L_H0_38 │ ├── L_H0_39 │ ├── L_H0_4 │ ├── L_H0_40 │ ├── L_H0_41 │ ├── L_H0_5 │ ├── L_H0_6 │ ├── L_H0_7 │ ├── L_H0_8 │ ├── L_H0_9 │ ├── L_MultiWaveletFilters_0.txt │ ├── L_MultiWaveletFilters_1.txt │ ├── L_MultiWaveletFilters_10.txt │ ├── L_MultiWaveletFilters_11.txt │ ├── L_MultiWaveletFilters_12.txt │ ├── L_MultiWaveletFilters_13.txt │ ├── L_MultiWaveletFilters_14.txt │ ├── L_MultiWaveletFilters_15.txt │ ├── L_MultiWaveletFilters_16.txt │ ├── L_MultiWaveletFilters_2.txt │ ├── L_MultiWaveletFilters_3.txt │ ├── L_MultiWaveletFilters_4.txt │ ├── L_MultiWaveletFilters_5.txt │ ├── L_MultiWaveletFilters_6.txt │ ├── L_MultiWaveletFilters_7.txt │ ├── L_MultiWaveletFilters_8.txt │ ├── L_MultiWaveletFilters_9.txt │ ├── L_b-spline-deriv1.txt │ ├── L_b-spline-deriv2.txt │ ├── L_b-spline-deriv3.txt │ ├── L_c_left_1 │ ├── L_c_left_10 │ ├── L_c_left_11 │ ├── L_c_left_12 │ ├── L_c_left_13 │ ├── L_c_left_14 │ ├── L_c_left_15 │ ├── L_c_left_16 │ ├── L_c_left_17 │ ├── L_c_left_18 │ ├── L_c_left_19 │ ├── L_c_left_2 │ ├── L_c_left_20 │ ├── L_c_left_21 │ ├── L_c_left_22 │ ├── L_c_left_23 │ ├── L_c_left_24 │ ├── L_c_left_25 │ ├── L_c_left_26 │ ├── L_c_left_27 │ ├── L_c_left_28 │ ├── L_c_left_29 │ ├── L_c_left_3 │ ├── L_c_left_30 │ ├── L_c_left_31 │ ├── L_c_left_32 │ ├── L_c_left_33 │ ├── L_c_left_34 │ ├── L_c_left_35 │ ├── L_c_left_36 │ ├── L_c_left_37 │ ├── L_c_left_38 │ ├── L_c_left_39 │ ├── L_c_left_4 │ ├── L_c_left_40 │ ├── L_c_left_41 │ ├── L_c_left_5 │ ├── L_c_left_6 │ ├── L_c_left_7 │ ├── L_c_left_8 │ ├── L_c_left_9 │ ├── L_c_right_1 │ ├── L_c_right_10 │ ├── L_c_right_11 │ ├── L_c_right_12 │ ├── L_c_right_13 │ ├── L_c_right_14 │ ├── L_c_right_15 │ ├── L_c_right_16 │ ├── L_c_right_17 │ ├── L_c_right_18 │ ├── L_c_right_19 │ ├── L_c_right_2 │ ├── L_c_right_20 │ ├── L_c_right_21 │ ├── L_c_right_22 │ ├── L_c_right_23 │ ├── L_c_right_24 │ ├── L_c_right_25 │ ├── L_c_right_26 │ ├── L_c_right_27 │ ├── L_c_right_28 │ ├── L_c_right_29 │ ├── L_c_right_3 │ ├── L_c_right_30 │ ├── L_c_right_31 │ ├── L_c_right_32 │ ├── L_c_right_33 │ ├── L_c_right_34 │ ├── L_c_right_35 │ ├── L_c_right_36 │ ├── L_c_right_37 │ ├── L_c_right_38 │ ├── L_c_right_39 │ ├── L_c_right_4 │ ├── L_c_right_40 │ ├── L_c_right_41 │ ├── L_c_right_5 │ ├── L_c_right_6 │ ├── L_c_right_7 │ ├── L_c_right_8 │ ├── L_c_right_9 │ ├── L_ph_deriv_1.txt │ ├── L_ph_deriv_2.txt │ ├── README │ └── Schrodinger_evolution_cross_correlation_coefficients_Legendre_scaling_type.bin ├── src ├── CMakeLists.txt ├── core │ ├── CMakeLists.txt │ ├── CrossCorrelation.cpp │ ├── CrossCorrelation.h │ ├── CrossCorrelationCache.cpp │ ├── CrossCorrelationCache.h │ ├── FilterCache.cpp │ ├── FilterCache.h │ ├── GaussQuadrature.cpp │ ├── GaussQuadrature.h │ ├── InterpolatingBasis.cpp │ ├── InterpolatingBasis.h │ ├── LegendreBasis.cpp │ ├── LegendreBasis.h │ ├── MWFilter.cpp │ ├── MWFilter.h │ ├── ObjectCache.cpp │ ├── ObjectCache.h │ ├── QuadratureCache.cpp │ ├── QuadratureCache.h │ ├── ScalingBasis.cpp │ ├── ScalingBasis.h │ ├── ScalingCache.h │ ├── SchrodingerEvolution_CrossCorrelation.cpp │ └── SchrodingerEvolution_CrossCorrelation.h ├── functions │ ├── AnalyticFunction.h │ ├── BoysFunction.cpp │ ├── BoysFunction.h │ ├── CMakeLists.txt │ ├── GaussExp.cpp │ ├── GaussExp.h │ ├── GaussFunc.cpp │ ├── GaussFunc.h │ ├── GaussPoly.cpp │ ├── GaussPoly.h │ ├── Gaussian.cpp │ ├── Gaussian.h │ ├── JpowerIntegrals.cpp │ ├── JpowerIntegrals.h │ ├── LegendrePoly.cpp │ ├── LegendrePoly.h │ ├── Polynomial.cpp │ ├── Polynomial.h │ ├── RepresentableFunction.cpp │ ├── RepresentableFunction.h │ ├── function_utils.cpp │ ├── function_utils.h │ ├── special_functions.cpp │ └── special_functions.h ├── operators │ ├── ABGVOperator.cpp │ ├── ABGVOperator.h │ ├── BSOperator.cpp │ ├── BSOperator.h │ ├── CMakeLists.txt │ ├── CartesianConvolution.cpp │ ├── CartesianConvolution.h │ ├── ConvolutionOperator.cpp │ ├── ConvolutionOperator.h │ ├── DerivativeConvolution.cpp │ ├── DerivativeConvolution.h │ ├── DerivativeKernel.h │ ├── DerivativeOperator.h │ ├── HeatKernel.h │ ├── HeatOperator.cpp │ ├── HeatOperator.h │ ├── HelmholtzKernel.cpp │ ├── HelmholtzKernel.h │ ├── HelmholtzOperator.cpp │ ├── HelmholtzOperator.h │ ├── IdentityConvolution.cpp │ ├── IdentityConvolution.h │ ├── IdentityKernel.h │ ├── MWOperator.cpp │ ├── MWOperator.h │ ├── OperatorState.h │ ├── OperatorStatistics.cpp │ ├── OperatorStatistics.h │ ├── PHOperator.cpp │ ├── PHOperator.h │ ├── PoissonKernel.cpp │ ├── PoissonKernel.h │ ├── PoissonOperator.cpp │ ├── PoissonOperator.h │ ├── TimeEvolutionOperator.cpp │ └── TimeEvolutionOperator.h ├── treebuilders │ ├── ABGVCalculator.cpp │ ├── ABGVCalculator.h │ ├── AdditionCalculator.h │ ├── AnalyticAdaptor.h │ ├── BSCalculator.cpp │ ├── BSCalculator.h │ ├── BandWidthAdaptor.h │ ├── CMakeLists.txt │ ├── ConvolutionCalculator.cpp │ ├── ConvolutionCalculator.h │ ├── CopyAdaptor.cpp │ ├── CopyAdaptor.h │ ├── CrossCorrelationCalculator.cpp │ ├── CrossCorrelationCalculator.h │ ├── DefaultCalculator.h │ ├── DerivativeCalculator.cpp │ ├── DerivativeCalculator.h │ ├── MapCalculator.h │ ├── MultiplicationAdaptor.h │ ├── MultiplicationCalculator.h │ ├── OperatorAdaptor.h │ ├── PHCalculator.cpp │ ├── PHCalculator.h │ ├── PowerCalculator.h │ ├── ProjectionCalculator.cpp │ ├── ProjectionCalculator.h │ ├── SplitAdaptor.h │ ├── SquareCalculator.h │ ├── TimeEvolution_CrossCorrelationCalculator.cpp │ ├── TimeEvolution_CrossCorrelationCalculator.h │ ├── TreeAdaptor.h │ ├── TreeBuilder.cpp │ ├── TreeBuilder.h │ ├── TreeCalculator.h │ ├── WaveletAdaptor.h │ ├── add.cpp │ ├── add.h │ ├── apply.cpp │ ├── apply.h │ ├── complex_apply.cpp │ ├── complex_apply.h │ ├── grid.cpp │ ├── grid.h │ ├── map.cpp │ ├── map.h │ ├── multiply.cpp │ ├── multiply.h │ ├── project.cpp │ └── project.h ├── trees │ ├── BandWidth.cpp │ ├── BandWidth.h │ ├── BoundingBox.cpp │ ├── BoundingBox.h │ ├── CMakeLists.txt │ ├── CornerOperatorTree.cpp │ ├── CornerOperatorTree.h │ ├── FunctionNode.cpp │ ├── FunctionNode.h │ ├── FunctionTree.cpp │ ├── FunctionTree.h │ ├── FunctionTreeVector.h │ ├── HilbertPath.cpp │ ├── HilbertPath.h │ ├── MWNode.cpp │ ├── MWNode.h │ ├── MWTree.cpp │ ├── MWTree.h │ ├── MultiResolutionAnalysis.cpp │ ├── MultiResolutionAnalysis.h │ ├── NodeAllocator.cpp │ ├── NodeAllocator.h │ ├── NodeBox.cpp │ ├── NodeBox.h │ ├── NodeIndex.h │ ├── OperatorNode.cpp │ ├── OperatorNode.h │ ├── OperatorTree.cpp │ ├── OperatorTree.h │ ├── TreeIterator.cpp │ └── TreeIterator.h └── utils │ ├── Bank.cpp │ ├── Bank.h │ ├── CMakeLists.txt │ ├── CompFunction.cpp │ ├── CompFunction.h │ ├── Plotter.cpp │ ├── Plotter.h │ ├── Printer.cpp │ ├── Printer.h │ ├── Timer.cpp │ ├── Timer.h │ ├── details.cpp │ ├── details.h │ ├── math_utils.cpp │ ├── math_utils.h │ ├── mpi_utils.cpp │ ├── mpi_utils.h │ ├── omp_utils.cpp │ ├── omp_utils.h │ ├── parallel.cpp │ ├── parallel.h │ ├── periodic_utils.cpp │ ├── periodic_utils.h │ ├── tree_utils.cpp │ └── tree_utils.h ├── tests ├── CMakeLists.txt ├── core │ ├── CMakeLists.txt │ ├── gauss_quadrature.cpp │ ├── mw_filter.cpp │ └── scaling_basis.cpp ├── factory_functions.h ├── functions │ ├── CMakeLists.txt │ ├── gaussians.cpp │ ├── legendre_poly.cpp │ ├── periodify_gaussians.cpp │ └── polynomial.cpp ├── operators │ ├── CMakeLists.txt │ ├── derivative_operator.cpp │ ├── heat_evolution_operator.cpp │ ├── helmholtz_operator.cpp │ ├── identity_convolution.cpp │ ├── poisson_operator.cpp │ └── schrodinger_evolution_operator.cpp ├── scalingfactor │ ├── CMakeLists.txt │ └── scaling_factor.cpp ├── treebuilders │ ├── CMakeLists.txt │ ├── addition.cpp │ ├── build_grid.cpp │ ├── clear_grid.cpp │ ├── map.cpp │ ├── multiplication.cpp │ └── projection.cpp ├── trees │ ├── CMakeLists.txt │ ├── band_width.cpp │ ├── bounding_box.cpp │ ├── function_tree.cpp │ ├── mw_tree.cpp │ ├── node_box.cpp │ ├── node_index.cpp │ └── tree_io.cpp └── unit_tests.cpp ├── tools ├── plot_schrodinger_semigroup1d.py └── plot_schrodinger_semigroup1d_in_one_window.py └── version.h.in /.circleci/config.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MRChemSoft/mrcpp/HEAD/.circleci/config.yml -------------------------------------------------------------------------------- /.clang-format: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MRChemSoft/mrcpp/HEAD/.clang-format -------------------------------------------------------------------------------- /.codecov.yml: -------------------------------------------------------------------------------- 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