Minor updates - 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

43 stars 22 forks source link

Minor updates #17

Closed JayTheDog closed 3 years ago

JayTheDog commented 3 years ago

updated iee.f90 to module
info.f90 now provides correct distribution function (G iee vs. P iee)