├── .github └── workflows │ └── python-testing.yml ├── .gitignore ├── CHANGELOG.md ├── CITATION.cff ├── README.md ├── kgrid ├── __init__.py ├── cli.py └── series.py ├── license.md ├── setup.py └── test ├── data ├── POSCAR └── geometry.in ├── test_kgrid_cli.py ├── test_kgrid_lib.py └── test_kgrid_series_cli.py /.github/workflows/python-testing.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/WMD-group/kgrid/HEAD/.github/workflows/python-testing.yml -------------------------------------------------------------------------------- /.gitignore: -------------------------------------------------------------------------------- 1 | *.pyc -------------------------------------------------------------------------------- /CHANGELOG.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/WMD-group/kgrid/HEAD/CHANGELOG.md -------------------------------------------------------------------------------- /CITATION.cff: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/WMD-group/kgrid/HEAD/CITATION.cff -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/WMD-group/kgrid/HEAD/README.md -------------------------------------------------------------------------------- /kgrid/__init__.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/WMD-group/kgrid/HEAD/kgrid/__init__.py -------------------------------------------------------------------------------- /kgrid/cli.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/WMD-group/kgrid/HEAD/kgrid/cli.py -------------------------------------------------------------------------------- /kgrid/series.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/WMD-group/kgrid/HEAD/kgrid/series.py -------------------------------------------------------------------------------- /license.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/WMD-group/kgrid/HEAD/license.md -------------------------------------------------------------------------------- /setup.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/WMD-group/kgrid/HEAD/setup.py -------------------------------------------------------------------------------- /test/data/POSCAR: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/WMD-group/kgrid/HEAD/test/data/POSCAR -------------------------------------------------------------------------------- /test/data/geometry.in: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/WMD-group/kgrid/HEAD/test/data/geometry.in -------------------------------------------------------------------------------- /test/test_kgrid_cli.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/WMD-group/kgrid/HEAD/test/test_kgrid_cli.py -------------------------------------------------------------------------------- /test/test_kgrid_lib.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/WMD-group/kgrid/HEAD/test/test_kgrid_lib.py -------------------------------------------------------------------------------- /test/test_kgrid_series_cli.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/WMD-group/kgrid/HEAD/test/test_kgrid_series_cli.py --------------------------------------------------------------------------------