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Scripts my friends and I made for VASP calculations.

Contents:

  • cohp.py

    Separate COHP files based on interaction type

  • Gaussian2POSCAR.py

    Converts Gaussian input file with translational periodicity to VASP POSCAR format

  • vasp_info.py

    Pull out key parameters and results from a VASP calculation

  • frac.py

    Converts Cartesian to fractional coordinates; tests for unit cell inclusion.

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