psiresp.charge.ChargeEquivalenceConstraint
- pydantic model psiresp.charge.ChargeEquivalenceConstraint[source]
Constrain a group of atoms to each have equivalent charge.
This must contain at least 2 atoms or it doesn’t make sense.
- field atoms: Set[psiresp.molecule.Atom] [Required]
Atoms involved in the constraint
- classmethod from_molecule(molecule, indices=[], **kwargs)
- get_hash()
- to_sparse_col_constraint(n_dim, molecule_increments={})
- to_sparse_row_constraint(n_dim, molecule_increments={})
- property charge
- property indices
- property molecule_set
- property molecules