tblite
Light-weight tight-binding framework
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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.