Core

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.

• GitHub wiki,
• readthedocs,

data = Field(default_factory=DataConfig)

Specify what, and how, data should be stored.

executable = Field(default_factory=ExecutableConfig)

Provides information for the executable.

propagation = Field(default_factory=PropagationConfig)

How to propagate the simulations.

system = Field(default_factory=SystemConfig)

Configuration options for the physical systems we are simulating.