Update Temprun; IEE; ECOM - Githubissues

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

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Update Temprun; IEE; ECOM #44

Closed JayTheDog closed 3 years ago

JayTheDog commented 3 years ago

Bugfix Temprun
Legacy Support for IEE distribution
E(COM) can be set as input energy