ebylaska/PWDFT

Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software

语言：Fortran · GitHub 星标：13 · Fork：9

话题：ab-initio · computational-chemistry · density-functional-theory · dft · electronic-structure-calculations · first-principles-calculations · high-performance-computing · kpoints

在 GitHub 上查看原仓库