├── .github └── workflows │ ├── pylint.yml │ └── pytest.yml ├── .gitignore ├── CHANGELOG.md ├── README.md ├── license.md ├── mctools ├── __init__.py ├── generic │ ├── __init__.py │ ├── fold_prim.py │ ├── get_energy.py │ ├── get_minimum.py │ ├── get_primitive.py │ ├── get_spacegroup.py │ ├── get_volume.py │ └── vectors.py ├── mace │ ├── __init__.py │ └── tail_mace_fit.py ├── other │ ├── __init__.py │ ├── plot_cplap_ternary.py │ ├── sendto.py │ └── sqs_read.py ├── phonon │ ├── __init__.py │ └── phonon_dispersion_compare.py └── vasp │ ├── __init__.py │ ├── get_vbm.py │ └── vasp_charge.py ├── pyproject.toml └── tests ├── test_get_energy.py ├── test_get_primitive.py └── test_get_spacegroup.py /.github/workflows/pylint.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ajjackson/mctools/HEAD/.github/workflows/pylint.yml -------------------------------------------------------------------------------- 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