/tools/pycc
pycc
CrawfordGroup/pycc
57 stars16 forksPythonAdded February 8, 2026
summary
PyCC is a Python-based implementation of the coupled cluster method used in quantum chemistry. It provides capabilities for calculating molecular energies and is designed for various quantum chemistry applications, including real-time simulations.
description
PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
topics
python
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