/tools/pyquante2
pyquante2
rpmuller/pyquante2
summary
PyQuante2 is an open-source suite for developing quantum chemistry methods, allowing scientists to construct their own quantum chemistry programs. It includes various integral methods and wave function calculations, making it relevant for molecular property predictions and simulations.
description
Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.
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