openff-interchange documentation

openff.interchange.components.nonbonded.BuckinghamvdWHandler

pydantic model openff.interchange.components.nonbonded.BuckinghamvdWHandler

Handler storing Buckingham-style vdW potentials.

Config

• arbitrary_types_allowed: bool = True

• json_encoders: dict = {<class ‘openff.units.units.Quantity’>: <function custom_quantity_encoder at 0x7fdff3466f70>}

• json_loads: function = <function json_loader at 0x7fdff3459280>

• validate_assignment: bool = True

Fields

• cutoff (float)

• expression (Literal['a*exp(-b*r)-c*r**-6'])

• method (str)

• mixing_rule (Literal['buckingham'])

• scale_13 (float)

• scale_14 (float)

• scale_15 (float)

• type (Literal['Buckingham-6'])

field type: Literal['Buckingham-6'] = 'Buckingham-6'

field expression: Literal['a*exp(-b*r)-c*r**-6'] = 'a*exp(-b*r)-c*r**-6'

field mixing_rule: Literal['buckingham'] = 'buckingham'

field method: str = 'cutoff'

field cutoff: float = 9.0

field scale_13: float = 0.0

field scale_14: float = 0.5

field scale_15: float = 1.0