Support for GPAW files - Githubissues

theochem / denspart

Atoms-in-molecules density partitioning schemes based on stockholder recipe

GNU General Public License v3.0

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Closed rubengoeminne closed 3 years ago

rubengoeminne commented 3 years ago

Support for the use of .gpw files from a periodic GPAW calculation (only a rough prototype for now).

tovrstra commented 3 years ago

Thanks for the PR. We'll tidy later.