A package for geometry optimization using non redundant internal coordinates (Zmatrices) and symbolic algebra.
pip install .
https://chemopt.readthedocs.io/
To run the tests run in the repository:
pytest
A package for geometry optimization using non redundant internal coordinates (Zmatrices) and symbolic algebra.
pip install .
https://chemopt.readthedocs.io/
To run the tests run in the repository:
pytest