| .codeclimate.json | |
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| .coveragerc | |
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| .github/workflows/build.yml | |
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| .github/workflows/ruff.yml | |
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| .gitignore | |
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| .readthedocs.yaml | |
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| .ruff.toml | |
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| .zenodo.json | |
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| LICENSE | |
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| README.md | |
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| changelog.md | |
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| requirements.txt | |
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| setup.py | 55 | A 0 mins |
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| vasppy/__init__.py | 0 | A 0 mins | F 0% |
| vasppy/atom.py | 18 | A 0 mins | A 100% |
| vasppy/band.py | 37 | A 35 mins | A 100% |
| vasppy/calculation.py | 143 | A 1 hr | A 97% |
| vasppy/cell.py | 177 | A 0 mins | A 98% |
| vasppy/data/GGA_md5.yaml | |
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| vasppy/data/GGA_nelect.yaml | |
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| vasppy/data/LDA_52_md5.yaml | |
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| vasppy/data/LDA_52_nelect.yaml | |
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| vasppy/data/LDA_54_md5.yaml | |
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| vasppy/data/LDA_54_nelect.yaml | |
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| vasppy/data/LDA_54r_md5.yaml | |
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| vasppy/data/LDA_54r_nelect.yaml | |
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| vasppy/data/LDA_md5.yaml | |
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| vasppy/data/LDA_nelect.yaml | |
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| vasppy/data/PBE_52_md5.yaml | |
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| vasppy/data/PBE_52_nelect.yaml | |
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| vasppy/data/PBE_54_md5.yaml | |
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| vasppy/data/PBE_54_nelect.yaml | |
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| vasppy/data/PBE_54r_md5.yaml | |
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| vasppy/data/PBE_54r_nelect.yaml | |
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| vasppy/data/PBE_md5.yaml | |
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| vasppy/data/PBE_nelect.yaml | |
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| vasppy/data/USPP_GGA_md5.yaml | |
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| vasppy/data/USPP_GGA_nelect.yaml | |
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| vasppy/data/USPP_LDA_md5.yaml | |
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| vasppy/data/USPP_LDA_nelect.yaml | |
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| vasppy/data/__init__.py | 0 | A 0 mins | F 0% |
| vasppy/data/potcar_data.py | 24 | A 0 mins | A 100% |
| vasppy/doscar.py | 329 | D 1 day | F 13% |
| vasppy/grid.py | 145 | C 1 day | F 0% |
| vasppy/kpoints.py | 75 | A 0 mins | A 100% |
| vasppy/neighbour_list.py | 155 | A 0 mins | A 96% |
| vasppy/optics.py | 88 | A 45 mins | F 46% |
| vasppy/outcar.py | 101 | B 6 hrs | F 50% |
| vasppy/pimaim.py | 55 | A 3 hrs | F 0% |
| vasppy/polyhedron.py | 12 | A 0 mins | F 0% |