Kavli Affiliate: Thomas Crawford | Summary: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 testing of new methods, and […]
Continue.. PyCC: A Reference Quantum Chemistry Python Package for Education, Validation, and Rapid Prototyping