2 results found Sort:

dftd4
dftd4 dftd4
49
167
lgpl-3.0
10
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
ase pyscf qcschema quantum-chemistry dispersion-correction computational-chemistry fortran-package-manager
Created 2019-02-28
224 commits to main branch, last one 6 days ago
dftd3
simple-dftd3 dftd3
29
57
lgpl-3.0
3
Library first implementation of the D3 dispersion correction
ase pyscf qcschema quantum-chemistry dispersion-correction computational-chemistry
Created 2019-11-09
127 commits to main branch, last one a day ago