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EPiCs-group / obelix

An automated workflow for generation & analysis of bidentate ligand containing complexes
https://epics-group.github.io/obelix/
GNU General Public License v3.0
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Fix error in boltzmann averaging for CREST output #8

Closed akalikadien closed 1 year ago

akalikadien commented 1 year ago

Closes #5.