Electronic structure libraries and applications (@electronic-structure)
github

electronic-structure

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  • Stars
    star
    141
  • Global Rank 161,142 (Top 6 %)
  • Followers 49
  • Registered over 10 years ago
  • Most used languages
    Python
         57.1 %
    Fortran
         28.6 %
    C++
         14.3 %
  • Location 🇨🇭 Switzerland
  • Country Total Rank 1,846
  • Country Ranking
    Fortran
         15
    C++
         178
    Python
         2,524

Top repositories

1

SIRIUS

Domain specific library for electronic structure calculations
C++
123
star
2

q-e-sirius

SIRIUS-enabled Quantum ESPRESSO
Fortran
8
star
3

species

Pseudopotential and full-potential species files in JSON format
Python
2
star
4

dft-dev-pe

Spack based programming environment for DFT codes
2
star
5

resest

Resource estimation for QE+SIRIUS jobs
Python
1
star
6

aiida-exciting

AiiDA plugin for exciting code
Python
1
star
7

Elk

Fork of Elk LAPW code
Fortran
1
star
8

crystal-structure-inputs

Input files for QuantumESPRESSO, Exciting and SIRIUS
Python
1
star