2 results found Sort:

dftd4
dftd4 dftd4
42
150
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
208 commits to main branch, last one 3 months ago
dftd3
simple-dftd3 dftd3
19
46
lgpl-3.0
3
reimplementation of the DFT-D3 program
ase pyscf qcschema quantum-chemistry dispersion-correction computational-chemistry
Created 2019-11-09
98 commits to main branch, last one 10 days ago