Time
schemas.atomistic.time.TimeSchema
¶
Bases: BaseModel, YamlIO
A generic interval-based time schema for simulation outputs.
interval_coord = Field(default=None)
class-attribute
instance-attribute
¶
Number of integration steps between writing coordinates.
Cadence: ensemble
UUID: ecd65483-ef07-4893-8b39-5d46118ce97a
interval_energy = Field(default=None)
class-attribute
instance-attribute
¶
Number of integration steps between writing energies.
Cadence: ensemble
UUID: 86ecb388-2760-41af-a989-433402dfcf44
interval_velocity = Field(default=None)
class-attribute
instance-attribute
¶
Number of integration steps between writing velocities.
Cadence: ensemble
UUID: 2ec3f6c5-01d8-4565-bc50-c91bda41f28c
model_config = ConfigDict(arbitrary_types_allowed=True)
class-attribute
instance-attribute
¶
time_step = Field(default=None)
class-attribute
instance-attribute
¶
Integration time step in femtoseconds (fs).
Cadence: ensemble
UUID: ec042cd8-c4de-4655-b663-cb96493b2ded