├── .gitignore ├── LICENSE ├── README.md ├── __pycache__ └── helpers_bicrystal.cpython-38.pyc ├── _config.yml ├── bicrystal ├── LICENSE ├── README.md ├── __pycache__ │ ├── ase.cpython-38.pyc │ └── helpers_bicrystal.cpython-38.pyc ├── atomic_plotting_data.json ├── bicrystal ├── cifs │ ├── cc.cif │ ├── mos2.cif │ └── pp.cif ├── examples │ ├── cc28.scf.in │ ├── mos42.scf.in │ └── pp28.scf.in ├── helpers_bicrystal.py ├── other_plotting │ ├── plotting_bicrystal.py.cp │ ├── plotting_bicrystal.py.cp2 │ ├── plotting_bicrystal.py.cp3_works_but_slow │ ├── plotting_bicrystal.py.cp4_browser_plot │ └── plotting_bicrystal.py.cp5_small_scatters_but_fast ├── periodic_table.csv ├── plotting_bicrystal.py └── program.py ├── poetry.lock └── pyproject.toml /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/tilaskabengele/BiCrystal/HEAD/.gitignore -------------------------------------------------------------------------------- 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