#density-functional-theory (10 Repositories)
Ranked open-source repositories tagged with #density-functional-theory, scored by pull request acceptance likelihood and maintainer engagement velocity.
49.6%
226.4h
10 repositories tagged #density-functional-theory
microsoft/skala
Skala exchange-correlation functional
JuliaMolSim/DFTK.jl
Density-functional toolkit
electronic-structure/SIRIUS
Domain specific library for electronic structure calculations
dftbplus/dftbplus
DFTB+ general package for performing fast atomistic simulations
zerothi/sisl
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
feos-org/feos
FeOs - A Framework for Equations of State and Classical Density Functional Theory
nwchemgit/nwchem
NWChem: Open Source High-Performance Computational Chemistry
mzjb/DeepH-pack
Deep neural networks for density functional theory Hamiltonian.
abinit/abinit
The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.uliege.be/ server. Before embarking on making significant changes, please contact the Abinit group. Note that questions will NOT be treated on github, please use the ABINIT Forum.
f-fathurrahman/PWDFT.jl
Plane wave density functional theory using Julia programming language