this is for holding javascript data
David Koes Deleted File
about 8 years ago
Commit id: 6b892bf1e8dd14c9bee6ac252118277f5b56452a
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Siam quantum (SQ) is a C written quantum chemistry program that using quantum mechanics determines the total energy and wave function of molecules within Hartee-Fock and MP2 method. Some of its features are geometry optimization and simple population analysis, calculate Hartree-Fock and restricted MP2 energies of molecules, perform post SCF calculations such as electron density or molecular orbitals.