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 about a month ago
brucefan1983
NEP_CPU brucefan1983
20
57
gpl-3.0
5
CPU version of NEP
nep gpumd pynep calorine neuroevolution neuroevolution-potential machine-learned-potential
Created 2022-09-13
191 commits to main branch, last one 24 days ago