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#quantum-monte-carlo

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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
C++ · Python★ 394Jul 21, 2026
Custom licenseJul 21, 2026 · metrics 1.13.0