real-space

There are 1 repository under real-space topic.

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