psiresp.constraint.ESPSurfaceConstraintMatrix

pydantic model psiresp.constraint.ESPSurfaceConstraintMatrix[source]

Fields

matrix (numpy.ndarray)

field matrix: numpy.ndarray [Required]

classmethod from_a_and_b(a, b)[source]

classmethod from_orientations(orientations=[], temperature=298.15)[source]

Parameters: temperature (float) –

validate_array(array)[source]

classmethod with_n_dim(n_dim)[source]

Parameters: n_dim (int) –

property a

property b

property n_dim

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