####oniomMacGyver A Python package to manipulate Gaussian(R) files for ONIOM calculations.
#####Installation
Step 1: In a directory of your choice ( /home/users/you ), run:
git clone https://github.com/eduardoftoliveira/oniomMacGyver.git
Step 2: Add the following to ~/.bashrc:
export PYTHONPATH="$PYTHONPATH:/home/users/you/oniomMacGyver"
export PATH="$PATH:/home/users/you/oniomMacGyver/scripts"
Step 3: Load the environmental variables to the current environment:
source ~/.bashrc
#####Update everything
In the installation folder ( ~/qt_scripts ), run:
git pull origin
#####How to use?
Read the doc/*.pdf