state Module

class state.BaseMDState(*args, **kwargs)

Bases: object

Create an empty state to which particle properties such as position, velocities are added as attributes.

as_func(name)

Returns a function handle to evaluate the required attribute.

Parameters:name (str) – Name of attribute.
Returns:Callable that returns the value of attribute at the time of calling.)
broadcast_data_from(rank=0)
compressed = None

Bool to determine if the held ParticleDat members have gaps in them.

domain
filter_on_domain_boundary()

Remove particles that do not reside in this subdomain. State requires a domain and a PositionDat

gather_data_on(rank=0)
get_cell_to_particle_map()
get_domain()
get_npart_local_func()
get_position_dat()
invalidate_lists = None

If true, all cell lists/ neighbour lists should be rebuilt.

move_to_neighbour(ids_directions_list=None, dir_send_totals=None, shifts=None)

Move particles using the linked list.

Parameters:
  • ids_directions_list(int) (host.Array) – Linked list of ids from directions.
  • dir_send_totals(int) (host.Array) – 26 Element array of number of particles traveling in each direction.
  • shifts(double) (host.Array) – 73 element array of the shifts to apply when moving particles for the 26 directions.
npart
npart_local
Returns:Local number of particles
scatter_data_from(rank)
class state.State(*args, **kwargs)

Bases: state.BaseMDState

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