qcschema

There are 3 repositories under qcschema topic.

dftd4/dftd4
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
Language:Fortran163 10 10548
dftd3/simple-dftd3
Library first implementation of the D3 dispersion correction
Language:Fortran53 3 5926
MolSSI/mmic_qcschema
Tactic MMIC translator for QCSchema/MMSchema
Language:Python4 01