Version 5.2.0 update - 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

Version 5.2.0 update #55

Closed JayTheDog closed 2 years ago

JayTheDog commented 2 years ago

Major update release

introduced negative and multiple charges for CID
multiple input file formats available mctc library
write-out updated