2 results found Sort:

dftd4
dftd4 dftd4
53
175
lgpl-3.0
8
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
ase pyscf qcschema quantum-chemistry dispersion-correction computational-chemistry fortran-package-manager
Created 2019-02-28
231 commits to main branch, last one 9 days ago
dftd3
simple-dftd3 dftd3
30
61
lgpl-3.0
2
Library first implementation of the D3 dispersion correction
ase pyscf qcschema quantum-chemistry dispersion-correction computational-chemistry
Created 2019-11-09
129 commits to main branch, last one 8 days ago