├── .github └── workflows │ ├── automatic_testing.yml │ └── publish_pypi.yml ├── .gitignore ├── .readthedocs.yml ├── LICENSE ├── README.md ├── documentation ├── Makefile ├── make.bat ├── readme │ ├── compile_jax_on_cluster.md │ └── installation_instructions.md ├── requirements.txt └── source │ ├── _static │ └── .empty │ ├── _templates │ └── .empty │ ├── conf.py │ ├── examples.rst │ ├── examples │ ├── ex0_ground_state_search.rst │ ├── ex2_unitary_time_evolution.rst │ ├── ex3_custom_net.rst │ ├── ex4_benchmarking.rst │ ├── ex5_dissipative_Lindblad.rst │ └── ex6_dissipative_Lindblad_2D.rst │ ├── index.rst │ ├── installation.rst │ ├── mpi.rst │ ├── nets.rst │ ├── operator.rst │ ├── parallelism.rst │ ├── sampler.rst │ ├── stats.rst │ ├── util.rst │ ├── util │ ├── minsr.rst │ ├── output_manager.rst │ ├── stepper.rst │ ├── symmetries.rst │ └── tdvp.rst │ └── vqs.rst ├── examples ├── ex0_ground_state_search.ipynb ├── ex0_ground_state_search.py ├── ex1_custom_operator.py ├── ex2_unitary_time_evolution.py ├── ex3_custom_net.py ├── ex4_benchmarking.py ├── ex5_dissipative_Lindblad.py ├── ex6_dissipative_Lindblad_2D.py └── ex7_fermions.ipynb ├── jVMC ├── __init__.py ├── global_defs.py ├── mpi_wrapper.py ├── nets │ ├── __init__.py │ ├── activation_functions.py │ ├── cnn.py │ ├── ffn.py │ ├── initializers.py │ ├── rbm.py │ ├── rnn1d_general.py │ ├── rnn2d_general.py │ ├── sym_wrapper.py │ └── two_nets_wrapper.py ├── operator │ ├── __init__.py │ ├── base.py │ ├── branch_free.py │ └── povm.py ├── sampler.py ├── stats.py ├── util │ ├── __init__.py │ ├── minsr.py │ ├── output_manager.py │ ├── stepper.py │ ├── symmetries.py │ ├── tdvp.py │ └── util.py ├── version.py └── vqs.py ├── pyproject.toml ├── pytest.ini ├── requirements.txt ├── setup.py └── tests ├── __init__.py ├── benchmark ├── net_evaluation.py └── operator_evaluation.py ├── data_ref └── fermion_ref.txt ├── minsr_test.py ├── mpi_wrapper_test.py ├── nets_test.py ├── operator_test.py ├── output_manager_test.py ├── povm_test.py ├── sampler_test.py ├── stats_test.py ├── stepper_test.py ├── symmetries_test.py ├── tdvp_test.py └── vqs_test.py /.github/workflows/automatic_testing.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/markusschmitt/vmc_jax/HEAD/.github/workflows/automatic_testing.yml -------------------------------------------------------------------------------- /.github/workflows/publish_pypi.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/markusschmitt/vmc_jax/HEAD/.github/workflows/publish_pypi.yml -------------------------------------------------------------------------------- /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/markusschmitt/vmc_jax/HEAD/.gitignore -------------------------------------------------------------------------------- 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