.gitignore
.zenodo.json
AGENTS.md
CHANGELOG.md
CITATION.cff
LICENSE
README.md
constraints.txt
pyproject.toml
.github/workflows/ci.yml
.github/workflows/release.yml
docs/code-guide_ja.md
docs/models.md
docs/releasing.md
examples/run_all_models.py
examples/dft/README.md
examples/dft/create_dft_calculator_from_config.py
examples/dft/qe_pbe_relax.yaml
examples/dft/qe_pbe_static.yaml
examples/dft/vasp_pbe_relax.yaml
examples/dft/vasp_pbe_static.yaml
src/ase_calculator_kit/__init__.py
src/ase_calculator_kit/config.py
src/ase_calculator_kit/device.py
src/ase_calculator_kit/dispersion.py
src/ase_calculator_kit/errors.py
src/ase_calculator_kit/factory.py
src/ase_calculator_kit/py.typed
src/ase_calculator_kit/registry.py
src/ase_calculator_kit.egg-info/PKG-INFO
src/ase_calculator_kit.egg-info/SOURCES.txt
src/ase_calculator_kit.egg-info/dependency_links.txt
src/ase_calculator_kit.egg-info/requires.txt
src/ase_calculator_kit.egg-info/top_level.txt
src/ase_calculator_kit/backends/__init__.py
src/ase_calculator_kit/backends/base.py
src/ase_calculator_kit/backends/dft/__init__.py
src/ase_calculator_kit/backends/dft/espresso.py
src/ase_calculator_kit/backends/dft/vasp.py
src/ase_calculator_kit/backends/mlip/__init__.py
src/ase_calculator_kit/backends/mlip/chgnet.py
src/ase_calculator_kit/backends/mlip/fairchem.py
src/ase_calculator_kit/backends/mlip/mace.py
src/ase_calculator_kit/backends/mlip/mattersim.py
src/ase_calculator_kit/backends/mlip/nequip.py
src/ase_calculator_kit/backends/mlip/sevennet.py
tests/conftest.py
tests/test_config.py
tests/test_device.py
tests/test_dft_backends.py
tests/test_dft_factory.py
tests/test_dispersion.py
tests/test_factory.py
tests/test_fairchem_backend.py
tests/test_mace_backend.py
tests/test_mattersim_backend.py
tests/test_models_doc_sync.py
tests/test_nequip_backend.py
tests/test_packaging.py
tests/test_sevennet_backend.py
tests/test_singlepoint_cpu.py