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lucydot/effmass

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NameLines of codeMaintainabilityTest coverage
paper/data/MAPI/PBEsol/DOSCAR
paper/data/MAPI/PBEsol/INCAR
paper/data/MAPI/PBEsol/KPOINTS
paper/data/MAPI/PBEsol/OUTCAR
paper/data/MAPI/PBEsol/POTCAR_spec
paper/data/MAPI/PBEsol/PROCAR
paper/data/MAPI/PBEsol_SoC/INCAR
paper/data/MAPI/PBEsol_SoC/KPOINTS
paper/data/MAPI/PBEsol_SoC/OUTCAR
paper/data/MAPI/PBEsol_SoC/POTCAR_spec
paper/data/MAPI/PBEsol_SoC/PROCAR
paper/data/MAPI/POSCAR
pyproject.toml
requirements.txt
setup.cfg
tutorials/Castep_ASE_interface.ipynb
tutorials/Tutorial.ipynb