Time
containers.atomistic.time.Time(parent)
¶
Bases: AtomeaContainer
A generic interval-based time schema for simulation outputs.
cadence = Cadence.ENSEMBLE
instance-attribute
¶
id = 'time'
instance-attribute
¶
interval_coord = Data[adt.UInt32](store_kind=StoreKind.TABLE, uuid='ecd65483-ef07-4893-8b39-5d46118ce97a', description='Number of integration steps between writing coordinates')
class-attribute
instance-attribute
¶
Number of integration steps between writing coordinates.
interval_energy = Data[adt.UInt32](store_kind=StoreKind.TABLE, uuid='86ecb388-2760-41af-a989-433402dfcf44', description='Number of integration steps between writing energies')
class-attribute
instance-attribute
¶
Number of integration steps between writing energies.
interval_velocity = Data[adt.UInt32](store_kind=StoreKind.TABLE, uuid='2ec3f6c5-01d8-4565-bc50-c91bda41f28c', description='Number of integration steps between writing velocities')
class-attribute
instance-attribute
¶
Number of integration steps between writing velocities.
time_step = Data[adt.UInt8](store_kind=StoreKind.TABLE, uuid='ec042cd8-c4de-4655-b663-cb96493b2ded', description='Integration time step in femtoseconds (fs)')
class-attribute
instance-attribute
¶
Integration time step in femtoseconds (fs).