Python Module Index

hoomd HOOMD-blue main package. Defines HOOMD's concept and Python implementation of a simulation box.
    hoomd.communicator MPI run interface.
    hoomd.custom Classes for custom Python actions that allow injecting code into the run loop. Provide access in Python to data buffers on CPU or GPU. Array classes that expose internal data buffers through the local snapshot `hoomd.State` API.
    hoomd.device Devices used for simulation runs
    hoomd.error HOOMD errors
    hoomd.filter Particle selection filters.
    hoomd.hpmc HPMC package.
    hoomd.hpmc.compute Compute system properties.
    hoomd.hpmc.external External potentials for HPMC.
    hoomd.hpmc.external.field External fields.
    hoomd.hpmc.external.user User defined fields for Monte Carlo.
    hoomd.hpmc.external.wall HPMC walls.
    hoomd.hpmc.integrate HPMC integrators. Newtownian event chain Monte Carlo. Integrators for Newtonian event chain Monte Carlo for hard particles. Tune Newtonian event chain parameters.
    hoomd.hpmc.pair Pair potentials for HPMC.
    hoomd.hpmc.pair.user User defined pair potentials for Monte Carlo.
    hoomd.hpmc.shape_move HPMC shape moves.
    hoomd.hpmc.tune Tuners for HPMC.
    hoomd.hpmc.update HPMC updaters.
    hoomd.logging Classes for logging data. Molecular Dynamics. Alchemical molecular dynamics. Alchemical MD integration methods. Pair potentials for MD alchemy. Angle potentials. Bond potentials. Compute system properties. Constraints. Provide access in Python to force data buffers on CPU or GPU. Dihedral potentials. External potentials for MD. External field potentials. MD wall potentials. Apply forces to particles. Improper potentials. Long-range potentials for molecular dynamics. Long-range potentials evaluated using the PPPM method. Manifold constraints. Many-body potentials. Mesh potentials. Bond potentials applied to a mesh data structure. Integration methods. RATTLE integration methods. Temperature control algorithms. FIRE energy minimizer. Neighbor list acceleration structures. Pair potentials. Anisotropic pair potentials. Pair potentials between special pairs of particles Tuners. Updaters.
    hoomd.mesh Triangulated mesh data structure made of particles.
    hoomd.operation Classes define the interfaces and types for HOOMD-blue operations.
    hoomd.trigger Trigger events at specific time steps.
    hoomd.tune Tuner simulation hyperparameters.
    hoomd.update Modify the system state periodically.
    hoomd.util Utilities
    hoomd.variant Values that vary as a function of time step. Box variants.
    hoomd.version Version and build information.
    hoomd.wall Wall data classes that specify wall geometries for use in other hoomd submodules.
    hoomd.write Write data out.