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lazy_vasping

lazy vasping is a light weight approach to automating some things in VASP with the aim of ensuring consistency between calculations. Predominantely it consists of wrappers for the calculation generatation capability of pymatgen and the calculation parsing functionality found in pymatgen, and vasppy.

TODO:

  • check wrangler works
  • add job submit script
  • implement calculation statistics viewer and "calc_obervations" file

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