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GitHub - ValeevGroup/mpqc: The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation. - ValeevGroup/mpqc
* MPQC - 大规模并行量子化学程序 MPQC，基于非时变薛定谔方程，从第一性原理计算原子和分子的性质。[GPL]
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