psiresp.constraint.SparseGlobalConstraintMatrix
- pydantic model psiresp.constraint.SparseGlobalConstraintMatrix[source]
- Fields:
- field coefficient_matrix: csr_matrix [Required]
- classmethod from_constraints(surface_constraints, charge_constraints, exclude_hydrogens=True)[source]
- Parameters:
exclude_hydrogens (bool) –
- get_hash()
- property charge_difference
- property charges