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
- to_row_constraint(n_dim, molecule_increments={})[source]
- Parameters
n_dim (int) –
molecule_increments (Dict[psiresp.molecule.Molecule, int]) –
- property charge