|
tblite
Light-weight tight-binding framework
|
Provides model for the calculation of molecular multipole moments for the converged singlepoint. More...
Data Types | |
| type | tblite_param_molecular_moments::molecular_multipole_record |
| Parametrization record specifying the dispersion model. More... | |
| type | tblite_param_molecular_moments::molmom_mask |
| Masking for the dispersion model. More... | |
| interface | tblite_param_molecular_moments::count |
Provides model for the calculation of molecular multipole moments for the converged singlepoint.