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qcxms / QCxMS

Quantum mechanic mass spectrometry calculation program
https://xtb-docs.readthedocs.io/en/latest/qcxms_doc/qcxms.html
GNU Lesser General Public License v3.0
43 stars 22 forks source link

ORCA grid bugfix #33

Closed JayTheDog closed 3 years ago

JayTheDog commented 3 years ago

Failed commit history - ignored pull