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schemas.workflow.westpa.cfg.main.WestpaConfigConfig

Bases: BaseModel, Render

Configuration class for wrapping WESTPA configuration options. These options are scattered across a variety of sources shown below. We do our best to aggregate and explain each parameter.

data: DataConfig = Field(default_factory=DataConfig) class-attribute instance-attribute

Specify what, and how, data should be stored.

executable: ExecutableConfig = Field(default_factory=ExecutableConfig) class-attribute instance-attribute

Provides information for the executable.

propagation: PropagationConfig = Field(default_factory=PropagationConfig) class-attribute instance-attribute

How to propagate the simulations.

system: SystemConfig = Field(default_factory=SystemConfig) class-attribute instance-attribute

Configuration options for the physical systems we are simulating.