Right now we are rewriting Gopt from scratch. We are therefore no longer developing or supporting this version. The new Gopt should be out in a few months!
GOpt is a python(3.6+) package for quantum chemistry geometry optimization. It provides robust performance for both energy minimization and transition state search.
GOpt is distributed under the conditions of the GPL License version 3 (GPLv3)
You are free to use GOpt for any purpose. However, GOpt, or any derived
version, can only be (re)distributed under the same license conditions.
Numpy
importlib_resources
pytest
tox
toxpython ./setup.py install