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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
563 commits to master branch, last one 3 days ago