SPARC-X / SPARC Star 63 Code Issues Pull requests Simulation Package for Ab-initio Real-space Calculations hpc large-scale massively-parallel boundary-conditions electronic-structure kohn-sham aimd easy-install finite-difference-method dft-calculations structural-optimization real-space Updated Apr 12, 2024 C
SPARC-X / M-SPARC Star 28 Code Issues Pull requests Matlab Simulation Package for Ab-initio Real-space Calculations matlab boundary-conditions electronic-structure kohn-sham finite-difference-method rapid-prototyping-framework dft-calculations structural-optimization real-space Updated Sep 21, 2023 MATLAB
ElsevierSoftwareX / SOFTX_2020_221 Star 0 Code Issues Pull requests Simulation Package for Ab-initio Real-space Calculations. To cite this Original Software Publication: https://www.sciencedirect.com/science/article/pii/S2352711021000546 density-functional-theory electronic-structure kohn-sham real-space Updated May 13, 2021 C
real-space / .github Star 0 Code Issues Pull requests Profile of Real-Space DFT Developments at Jülich Supercomputing Centre cplusplus density-functional-theory gpu-computing sparse-matrix hpc-applications electronic-structure green-functions projector-augmented-wave mpi-parallelization real-space tfqmr angstromcube Updated Aug 3, 2023