Time

TimeSchema

Bases: BaseModel, YamlIO

A generic interval-based time schema for simulation outputs.

interval_coord = Field(default=None)

Number of integration steps between writing coordinates.

Cadence: ensemble

UUID: ecd65483-ef07-4893-8b39-5d46118ce97a

interval_energy = Field(default=None)

Number of integration steps between writing energies.

Cadence: ensemble

UUID: 86ecb388-2760-41af-a989-433402dfcf44

interval_velocity = Field(default=None)

Number of integration steps between writing velocities.

Cadence: ensemble

UUID: 2ec3f6c5-01d8-4565-bc50-c91bda41f28c

model_config = ConfigDict(arbitrary_types_allowed=True)

time_step = Field(default=None)

Integration time step in femtoseconds (fs).

Cadence: ensemble

UUID: ec042cd8-c4de-4655-b663-cb96493b2ded