Core

schemas.workflow.amber.v22.core.Amber22Schema

Bases: AmberSchemaBase

Amber 22 schema for simulation contexts.

cli = Field(default_factory=Amber22CLI) class-attribute instance-attribute

ff = Field(default_factory=Amber22Forcefield) class-attribute instance-attribute

inputs = Field(default_factory=Amber22Inputs) class-attribute instance-attribute