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energetic sorting of conformer rotamer ensembles
https://xtb-docs.readthedocs.io/en/latest/enso_doc/enso.html
GNU Lesser General Public License v3.0
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small fixes
#5
Closed
fabothch
closed
4 years ago
fabothch
commented
4 years ago
fix value conversion in writing populated-conf-part3.xyz
removed wrong space in read_json