LocalSnapshotGPU

class hoomd.data.LocalSnapshotGPU(*args, **kwargs)

Provides context manager access to HOOMD-blue GPU data buffers.

The interface of a LocalSnapshot is similar to that of the hoomd.Snapshot. Data is MPI rank local so for MPI parallel simulations only the data possessed by a rank is exposed. This means that users must handle the domain decomposition directly. One consequence of this is that access to ghost particle data is provided. A ghost particle is a particle that is not owned by a rank, but nevertheless is required for operations that use particle neighbors. Also, changing the global or local box within a LocalSnapshot context manager is not allowed.

For every property (e.g. data.particles.position), only grabs the data for the regular (non-ghost) particles. The property can be prefixed with ghost_ to grab the ghost particles in a read only manner. Likewise, suffixing with _with_ghost will grab all data on the rank (regular and ghost particles) in a read only array.

All array-like properties return a hoomd.data.array.HOOMDGPUArray object which prevents invalid memory accesses.

See also

Access the local snapshot of a state via hoomd.State.gpu_local_snapshot.

property angles

Local angle data.

Type:

hoomd.data.AngleLocalAccessBase

property bonds

Local bond data.

Type:

hoomd.data.BondLocalAccessBase

property constraints

Local constraint data.

Type:

hoomd.data.ConstraintLocalAccessBase

property dihedrals

Local dihedral data.

Type:

hoomd.data.DihedralLocalAccessBase

property global_box

The global simulation box.

Type:

hoomd.Box

property impropers

Local improper data.

Type:

hoomd.data.ImproperLocalAccessBase

property local_box

The local box according to the domain decomposition.

Type:

hoomd.Box

property pairs

Local special pair data.

Type:

hoomd.data.PairLocalAccessBase

property particles

Local particle data.

Type:

hoomd.data.ParticleLocalAccessBase