openff-interchange documentation

openff.interchange.components.base.BasevdWHandler

pydantic model openff.interchange.components.base.BasevdWHandler

Base handler for storing vdW interactions.

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

• expression (str)

• method (Literal['cutoff', 'pme', 'no-cutoff'])

• mixing_rule (str)

• type (str)

field type: str = 'vdW'

field expression: str = '4*epsilon*((sigma/r)**12-(sigma/r)**6)'

field method: Literal['cutoff', 'pme', 'no-cutoff'] = 'cutoff'

field mixing_rule: str = 'lorentz-berthelot'

The mixing rule (combination rule) used in computing pairwise vdW interactions