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pyflosic

pyflosic

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

Location:Freiberg, Germany

Home Page:https://flosic.physik.tu-freiberg.de/

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pyflosic's repositories

pyflosic

Python-based Fermi-Löwdin orbital self-interaction-correction

Language:PythonLicense:Apache-2.0Stargazers:22Issues:7Issues:1

fodMC

Fermi-orbital descriptor Monte-Carlo

Language:FortranLicense:Apache-2.0Stargazers:5Issues:2Issues:14

pylewis

Lewis structure based Fermi-orbital descriptor generation

Language:PythonLicense:Apache-2.0Stargazers:4Issues:1Issues:0

pyeff

Python based electronic force field

Language:PythonLicense:Apache-2.0Stargazers:3Issues:1Issues:0

FOD_database

Collection of Fermi orbital descriptors

Stargazers:2Issues:3Issues:3