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spack Public
Forked from spack/spackA flexible package manager that supports multiple versions, configurations, platforms, and compilers.
Python Other UpdatedApr 16, 2025 -
qmcpack Public
Forked from QMCPACK/qmcpackMain 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.
C++ Other UpdatedApr 14, 2025 -
pyscf-forge Public
Forked from pyscf/pyscf-forgepyscf-forge is a staging ground for code that may be suitable for pyscf-core
Python Apache License 2.0 UpdatedJan 20, 2025 -
qp2 Public
Forked from QuantumPackage/qp2Quantum Package : a programming environment for wave function methods
Fortran GNU Affero General Public License v3.0 UpdatedSep 13, 2024 -
miniqmc Public
Forked from QMCPACK/miniqmcQMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experiments
C++ Other UpdatedAug 15, 2024 -
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pyscf Public
Forked from pyscf/pyscfPython module for quantum chemistry
Python Apache License 2.0 UpdatedAug 27, 2021 -
oneMKL Public
Forked from uxlfoundation/oneMathoneAPI Math Kernel Library (oneMKL) Interfaces
C++ Apache License 2.0 UpdatedAug 26, 2021 -
FGPU Public
Forked from TApplencourt/FGPUFortran BSD 3-Clause "New" or "Revised" License UpdatedMay 19, 2021 -
rmgdft Public
Forked from RMGDFT/rmgdftRMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density functional theory and uses a real space basis and pseudopotentials.
C++ GNU General Public License v2.0 UpdatedMay 3, 2021 -
q-e Public
Forked from ye-luo/q-eMirror of the Quantum ESPRESSO repository
Fortran GNU General Public License v2.0 UpdatedFeb 11, 2021 -
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pseudopotentiallibrary Public
Forked from QMCPACK/pseudopotentiallibraryRepository for PseudopotentialLibrary.org website and database
PHP UpdatedJun 18, 2020 -
ProgrammingProjects Public
Forked from CrawfordGroup/ProgrammingProjectsC++ Programming Tutorial in Chemistry
UpdatedFeb 25, 2020 -
quantum_package Public
Forked from LCPQ/quantum_packageSet of quantum chemistry programs and libraries
Fortran GNU General Public License v2.0 UpdatedFeb 7, 2020 -
EZFIO Public
Forked from LCPQ/EZFIOThe Easy Fortran I/O library generator
Python GNU General Public License v2.0 UpdatedNov 22, 2019 -
QMMM_study_group Public
Forked from shivupa/QMMM_study_groupQM/MM Study Group
Jupyter Notebook BSD 3-Clause "New" or "Revised" License UpdatedAug 10, 2018 -
slater_condon Public
Forked from scemama/slater_condonFiles for the Slater-Condon paper 2013
Fortran GNU General Public License v2.0 UpdatedOct 28, 2016 -
pyci Public
Forked from shivupa/pyciA Python Configuration Interaction program.
Python GNU General Public License v3.0 UpdatedSep 9, 2016 -
programming_party Public
Forked from berquist/programming_partyC++ Mozilla Public License 2.0 UpdatedNov 11, 2015 -
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