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tblite
tblite

Light-weight tight-binding framework

293K 199 62
MilanSkocic
pycodata

Codata constants for Fortran, C and Python.

7K 10 1
dftd4
dftd4

Generally Applicable Atomic-Charge Dependent London Dispersion Correction

7K 214 61
MilanSkocic
pyciaaw

pyciaaw: CIAAW for python.

6K 5 0
MilanSkocic
pyiapws

Thermodynamic properties of water.

3K 7 0
fortran-lang
fpm

Fortran Package Manager (fpm)

3K 1K 134
ExeQuantCode
raffle

A material interface structure prediction package

2K 21 1
ofmla
sotb-wrapper

This repo shows how to use SEISCOPE optimization toolbox Fortran code from Python

423 31 9
gisc-ufv
hypersis

Python wrapper for hyperSIS Fortran simulations

261 7 0
fortran-lang
fpm-metadata

Python model for Fortran package manifests

182 7 0