OniomMacGyver

####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