QMCPACK/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

4 best points · 0 comments · 1 Hacker News post · 413 GitHub stars · View on GitHub

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• Qmcpack – Many-body Quantum Monte Carlo for structure of atoms,molecules,solids (4 points, 0 comments, by olvy0, 2023-04-22)