md.data
Overview
Access HOOMD-Blue force data buffers on the CPU. |
|
Access HOOMD-Blue force data buffers on the GPU. |
Details
Force data local access.
ForceLocalAccess
, ForceLocalAccessGPU
, and related classes provide direct
access to the data buffers managed by hoomd.md.force.Force
. This means that
MPI rank locality must be considered in accessing the arrays in a multi-rank
simulation.
- class hoomd.md.data.ForceLocalAccess(force_obj)
Access HOOMD-Blue force data buffers on the CPU.
- force
Local force data. \([\mathrm{force}]\)
- Type
(N_particles, 3)
hoomd.data.array
offloat
- potential_energy
Local potential energy data. \([\mathrm{energy}]\)
- Type
(N_particles,)
hoomd.data.array
offloat
- torque
Local torque data. \([\mathrm{force} \cdot \mathrm{length}]\)
- Type
(N_particles, 3)
hoomd.data.array
offloat
- virial
Local virial data. \([\mathrm{energy}]\)
- Type
(N_particles, 6)
hoomd.data.array
offloat
- class hoomd.md.data.ForceLocalAccessGPU(*args, **kwargs)
Access HOOMD-Blue force data buffers on the GPU.
- force
Local force data. \([\mathrm{force}]\)
- Type
(N_particles, 3)
hoomd.data.array
offloat
- potential_energy
Local potential energy data. \([\mathrm{energy}]\)
- Type
(N_particles,)
hoomd.data.array
offloat
- torque
Local torque data. \([\mathrm{force} \cdot \mathrm{length}]\)
- Type
(N_particles, 3)
hoomd.data.array
offloat
- virial
Local virial data. \([\mathrm{energy}]\)
- Type
(N_particles, 6)
hoomd.data.array
offloat
Modules