├── .gitignore ├── DeepSolid ├── __init__.py ├── base_config.py ├── checkpoint.py ├── config │ ├── diamond.py │ ├── graphene.py │ ├── hydrogen_chain.py │ ├── poscar │ │ └── bcc_li.vasp │ ├── read_poscar.py │ ├── rock_salt.py │ └── two_hydrogen_cell.py ├── constants.py ├── curvature_tags_and_blocks.py ├── distance.py ├── distributed.py ├── estimator.py ├── ewaldsum.py ├── hamiltonian.py ├── hf.py ├── init_guess.py ├── network.py ├── pretrain.py ├── process.py ├── qmc.py ├── supercell.py ├── train.py └── utils │ ├── elements.py │ ├── kfac_ferminet_alpha │ ├── __init__.py │ ├── curvature_blocks.py │ ├── distributions.py │ ├── estimator.py │ ├── example.py │ ├── layers_and_loss_tags.py │ ├── loss_functions.py │ ├── optimizer.py │ ├── tag_graph_matcher.py │ ├── tracer.py │ ├── utils.py │ └── vjp_rc.py │ ├── poscar_to_cell.py │ ├── system.py │ ├── units.py │ └── writers.py ├── LICENSE ├── README.md ├── bin └── deepsolid ├── setup.py └── test ├── test_cell.py └── test_network.py /.gitignore: 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