David Koes Deleted File  about 8 years ago

Commit id: e651a247dc6b2358d11a1d8ac5b0f0b41727590e

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PyQuante (Python quantum chemistry) is a suit of programs providing scientists a set of tools that construct their own quantum chemistry programs. It will hopefully provide a working quantum chemistry program as well. Its features include CI-Singles excited states, optimized-effective potential DFT, MINDO/3 semi empirical energies and forces and so on.