=======> Please see LICENCE for licensing and copyright information <=====
============> Zimmerman Group, University of Michigan <==============
pyGSM (Python + GSM) is a reaction path and photochemistry tool. Key features It combines the powerful tools of python with the Growing String Method to allow for rapid prototyping and improved readability.
See https://zimmermangroup.github.io/pyGSM/
Install the code using python setup.py install
.
You can also install locally without sudo permissions like:
python setup.py install --prefix ~/.local
You might need to create the folder ~/.local/lib/
if setup.py complains about the folder not existing.
It's also recommended to do the installation within a conda environment e.g.:
conda create -n gsm_env
source activate gsm_env
python setup.py install --prefix ~/.local
Python 3 is preferred
numpy
matplotlib
six
networkx
This project contains source material from the geomeTRIC package.
Copyright 2016-2019 Regents of the University of California and the Authors
Authors: Lee-Ping Wang, Chenchen Song\
https://github.com/leeping/geomeTRIC/blob/master/LICENSE
Cody Aldaz (lead author)
Prof. Paul Zimmerman
Prof. Lee-Ping Wang
Prof. Todd Martinez