Python version of the PSI geometry optimization program by R.A. King
To do a local install of the Python directory,
pip install -e .
Testing is done through py.test module. To run the entire test suite execute
py.test -v
pyOptking: A Python version of the PSI4 geometry optimization program by R.A. King
Python version of the PSI geometry optimization program by R.A. King
To do a local install of the Python directory,
pip install -e .
Testing is done through py.test module. To run the entire test suite execute
py.test -v
pyOptking: A Python version of the PSI4 geometry optimization program by R.A. King
BSD 3-Clause "New" or "Revised" License