real-space/AngstromCube

A parallel and GPU-accelerated Code for Real-Space All-Electron Linear-Scaling Density Functional Theory

语言：C++ · GitHub 星标：9 · Fork：3

话题：cuda-programming · density-functional-theory · electron-density · electronic-structure · electronic-structure-calculations · finite-difference · gpu-acceleration · hamiltonian

在 GitHub 上查看原仓库