/pyGSM

Thermal and photochemical reaction path optimization and discovery

Primary LanguagePythonMIT LicenseMIT

pyGSM

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Reaction path and photochemistry tool

Documentation

See https://zimmermangroup.github.io/pyGSM/

Install instructions

pyGSM can be installed by setting up a python environment (e.g. venv, conda), cloning the GitHub repository, and installing with pip. From the root directory in the git repository, this would look like:

pip install -e .