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GitHub topics: real-space

SPARC-X/SPARC

Simulation Package for Ab-initio Real-space Calculations

Language: C - Size: 53.8 MB - Last synced at: 2 days ago - Pushed at: 2 days ago - Stars: 78 - Forks: 39

SPARC-X/M-SPARC

Matlab Simulation Package for Ab-initio Real-space Calculations

Language: MATLAB - Size: 25.1 MB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 28 - Forks: 31

real-space/.github

Profile of Real-Space DFT Developments at Jülich Supercomputing Centre

Size: 157 KB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0

ElsevierSoftwareX/SOFTX_2020_221 Fork of SPARC-X/SPARC

Simulation Package for Ab-initio Real-space Calculations. To cite this Original Software Publication: https://www.sciencedirect.com/science/article/pii/S2352711021000546

Size: 6.74 MB - Last synced at: about 2 years ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 0

Related Keywords
electronic-structure 4 real-space 4 density-functional-theory 3 kohn-sham 3 boundary-conditions 2 dft-calculations 2 finite-difference-method 2 structural-optimization 2 angstromcube 1 cplusplus 1 gpu-computing 1 green-functions 1 hpc-applications 1 mpi-parallelization 1 projector-augmented-wave 1 sparse-matrix 1 tfqmr 1 rapid-prototyping-framework 1 matlab 1 portable 1 massively-parallel 1 machine-learned-potential 1 large-scale 1 hpc 1 easy-install 1 aimd 1