Julich Supercomputing Centre * GitHub

Real-Space Density Functional Theory at Julich Supercomputing Centre

AngstromCube: a DFT package for all-electron real-space grid DFT using PAW and tfQMRgpu as Green function solver
tfQMRgpu: a GPU library to accelerate linear system solves allowing block-sparsity
juRS (archived): a CPU code written in modern Fortran for massively parallel real-space grid DFT loading PAW potentials

Popular repositories Loading

tfQMRgpu Public

A CUDA implementation of the transpose-free Quasi-Minimal Residual method

C++ 11 1

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

C++ 8 2

juRS Public archive

Real-space grid Density Functional Theory for large systems

Fortran 5 2

.github Public

Profile of Real-Space DFT Developments at Julich Supercomputing Centre

Navigation Menu