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PyCC: A Reference Quantum Chemistry Python Package for Education, Validation, and Rapid Prototyping

Crawford, T. Daniel et al.
arXiv (All) · Papers
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chemical-physicsquantum-physics
PyCC is a Python-based quantum chemistry package that emphasizes coupled cluster and related methods. Developed over the last five years, PyCC's purpose is to provide a clear reference implementation that will serve as a validation suite for production code, a platform for rapid prototyping and test
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