A simple library tool related to the use og Gaussian on HPC platforms. It takes care of setting up some information to run on the platform.
Several modules are provides:
sub: manages the core submission systemparse_ini: parses a configuration file with information on Gaussian versions.utils: provides a HPC-aware system to query Gaussian utilities.
pip3 install -e git+https://github.com/jbloino/gxxtools.git#egg=gxxtools