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qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

c-plus-plus cuda electronic-structure gpu high-performance-computing hpc mpi oneapi quantum-chemistry quantum-monte-carlo

Creat：2017-01-12T03:02:29

Update：2025-03-26T01:47:02

http://www.qmcpack.org

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