GitHub topics: machine-learned-potential
SPARC-X/SPARC
Simulation Package for Ab-initio Real-space Calculations
Language: C - Size: 53.8 MB - Last synced at: 2 days ago - Pushed at: 2 days ago - Stars: 78 - Forks: 39
brucefan1983/NEP_CPU
CPU version of NEP
Language: C++ - Size: 998 KB - Last synced at: 23 days ago - Pushed at: 23 days ago - Stars: 60 - Forks: 20
Related Keywords
machine-learned-potential
2
pynep
1
neuroevolution-potential
1
neuroevolution
1
nep
1
gpumd
1
calorine
1
structural-optimization
1
real-space
1
portable
1
massively-parallel
1
large-scale
1
kohn-sham
1
hpc
1
finite-difference-method
1
electronic-structure
1
easy-install
1
dft-calculations
1
density-functional-theory
1
boundary-conditions
1
aimd
1