pyflosic

Python-based Fermi-Löwdin orbital self-interaction correction (FLO-SIC)

Freiberg, Germany

Pinned Repositories

FOD_database
Collection of Fermi orbital descriptors
2 3 30
fodMC
Fermi-orbital descriptor Monte-Carlo
Language:Fortran5 2 141
pyeff
Python based electronic force field
Language:Python3 1 01
pyflosic
Python-based Fermi-Löwdin orbital self-interaction-correction
Language:Python22 7 13
pylewis
Lewis structure based Fermi-orbital descriptor generation
Language:Python4 1 01

pyflosic's Repositories

pyflosic/pyflosic
Python-based Fermi-Löwdin orbital self-interaction-correction
Language:Python22 7 13
pyflosic/fodMC
Fermi-orbital descriptor Monte-Carlo
Language:Fortran5 2 141
pyflosic/pylewis
Lewis structure based Fermi-orbital descriptor generation
Language:Python4 1 01
pyflosic/pyeff
Python based electronic force field
Language:Python3 1 01
pyflosic/FOD_database
Collection of Fermi orbital descriptors
2 3 30