2 results found Sort:

SPARC-X
SPARC SPARC-X
38
73
gpl-3.0
9
Simulation Package for Ab-initio Real-space Calculations
hpc aimd portable kohn-sham real-space large-scale easy-install dft-calculations massively-parallel boundary-conditions electronic-structure structural-optimization finite-difference-method density-functional-theory machine-learned-potential
Created 2020-05-20
587 commits to master branch, last one 13 days ago
microsoft
LightAIMD microsoft
10
38
mit
7
A lightweight ab initio molecular dynamics simulation program
aimd simulation hartree-fock molecular-dynamics density-functional-theory
Created 2022-04-09
152 commits to main branch, last one 8 months ago