this is for holding javascript data
Somayeh edited MPQC_Massively_Parallel_Quantum_Chemistry__.tex
over 8 years ago
Commit id: 55de8641a8423ded9957f581c92cbadc1d5d56c5
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MPQC
(Massively Parallel Quantum Chemistry Program) (massively parallel quantum chemistry program) is a quantum chemical software that offers many features including closed shell, unrestricted and general restricted open shell Hartree-Fock energies and gradients, closed shell, unrestricted and general restricted open shell density functional theory energies and gradients, second order open shell perturbation theory (OPT2[2]) and Z-averaged perturbation theory (ZAPT2) energies and many more.