md.data

Overview

ForceLocalAccess

Access HOOMD-Blue force data buffers on the CPU.

ForceLocalAccessGPU

Access HOOMD-Blue force data buffers on the GPU.

Details

Force data local access.

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 of float

potential_energy

Local potential energy data. \([\mathrm{energy}]\)

Type

(N_particles,) hoomd.data.array of float

torque

Local torque data. \([\mathrm{force} \cdot \mathrm{length}]\)

Type

(N_particles, 3) hoomd.data.array of float

virial

Local virial data. \([\mathrm{energy}]\)

Type

(N_particles, 6) hoomd.data.array of float

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 of float

potential_energy

Local potential energy data. \([\mathrm{energy}]\)

Type

(N_particles,) hoomd.data.array of float

torque

Local torque data. \([\mathrm{force} \cdot \mathrm{length}]\)

Type

(N_particles, 3) hoomd.data.array of float

virial

Local virial data. \([\mathrm{energy}]\)

Type

(N_particles, 6) hoomd.data.array of float

Modules