openff.recharge.grids.MSKGridSettings

model openff.recharge.grids.MSKGridSettings[source]

Bases: BaseModel

A class which encodes the settings to use when generating a standard Merz-Singh-Kollman (MSK) grid.

Fields

  • density (pydantic.types.PositiveFloat)

  • type (Literal['msk'])

field type: Literal['msk'] = 'msk'
field density: pydantic.types.PositiveFloat = 1.0

The density [/Angstrom^2] of the MSK grid.

Constraints

  • exclusiveMinimum = 0

property density_quantity: pint.util.Quantity