Kevin Gasperich's repositories
Language:FortranBSD-3-Clause000
oneMKL
oneAPI Math Kernel Library (oneMKL) Interfaces
Language:C++Apache-2.0000
ProgrammingProjects
C++ Programming Tutorial in Chemistry
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pseudopotentiallibrary
Repository for PseudopotentialLibrary.org website and database
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q-e
Mirror of the Quantum ESPRESSO repository
GPL-2.0000
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.
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QMMM_study_group
QM/MM Study Group
Language:Jupyter NotebookBSD-3-Clause000
quantum_package
Set of quantum chemistry programs and libraries
rmgdft
RMG 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.
GPL-2.0000
slater_condon
Files for the Slater-Condon paper 2013