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TREX-CoE / trexio_tools

Set of tools for trexio files
BSD 3-Clause "New" or "Revised" License
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Trex2champ converter for obtaining champ input files #1

Closed neelravi closed 3 years ago

neelravi commented 3 years ago

Obtaining champ input files from trexio hdf5 file or trexio text directory. resultsFile package is currently being used to get determinants data.

Files generated using this converter include