mpqc
Quantum Chemistry Solver
A program for ab initio simulation of the electronic structure of molecules and periodic solids 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.
66 stars
27 watching
24 forks
Language: C++
last commit: over 1 year ago
Linked from 1 awesome list
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