Gaussian tool suite

Description

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 system
• parse_ini: parses a configuration file with information on Gaussian versions.
• utils: provides a HPC-aware system to query Gaussian utilities.

To install the tool suite

pip3 install -e git+https://github.com/jbloino/gxxtools.git#egg=gxxtools