pyquante

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PyQuante (Python Quantum Chemistry) is an open-source package for quantum chemistry programming written in Python, Numerical Python, and C.

http://pyquante.sourceforge.net

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Pyquante-avogadro-extension - Pyquante integration in Avogadro


This project aims to integrate the PyQuante library in Avogadro. PyQuante can calculate energy, molecular orbitals and other properties with quantum methods. With this extension you can do this directly in Avogadro using its powerful interface.

rpmuller-pyquante2


Python Quantum Chemistry Refactored. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.







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