Pinned Repositories
moldyn
Python Implementation of Molecular Dynamics using Lennard-Jones Potential
pseudopotentiallibrary
Repository for PseudopotentialLibrary.org website and database
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.
heavy_element_ecps
pseudopotentiallibrary
Repository for PseudopotentialLibrary.org website and database
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
qmcpack_workshop_2023
QMCPACK Users Workshop 2023
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.
aannabe's Repositories
aannabe/moldyn
Python Implementation of Molecular Dynamics using Lennard-Jones Potential
aannabe/pseudopotentiallibrary
Repository for PseudopotentialLibrary.org website and database
aannabe/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.