Fast and simple way to electronic structure methods.
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Updated
Jun 28, 2024 - C++
Fast and simple way to electronic structure methods.
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
Simulation of quantum systems on a lattice
Repository for PseudopotentialLibrary.org website and database
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Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
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