Python Module Index
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hoomd | HOOMD-blue main package. | |
hoomd.box | 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. | |
hoomd.data | Provide access in Python to data buffers on CPU or GPU. | |
hoomd.data.array | 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. | |
hoomd.hpmc.nec | Newtownian event chain Monte Carlo. | |
hoomd.hpmc.nec.integrate | Integrators for Newtonian event chain Monte Carlo for hard particles. | |
hoomd.hpmc.nec.tune | 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. | |
hoomd.md | Molecular Dynamics. | |
hoomd.md.alchemy | Alchemical molecular dynamics. | |
hoomd.md.alchemy.methods | Alchemical MD integration methods. | |
hoomd.md.alchemy.pair | Pair potentials for MD alchemy. | |
hoomd.md.angle | Angle potentials. | |
hoomd.md.bond | Bond potentials. | |
hoomd.md.compute | Compute system properties. | |
hoomd.md.constrain | Constraints. | |
hoomd.md.data | Provide access in Python to force data buffers on CPU or GPU. | |
hoomd.md.dihedral | Dihedral potentials. | |
hoomd.md.external | External potentials for MD. | |
hoomd.md.external.field | External field potentials. | |
hoomd.md.external.wall | MD wall potentials. | |
hoomd.md.force | Apply forces to particles. | |
hoomd.md.improper | Improper potentials. | |
hoomd.md.long_range | Long-range potentials for molecular dynamics. | |
hoomd.md.long_range.pppm | Long-range potentials evaluated using the PPPM method. | |
hoomd.md.manifold | Manifold constraints. | |
hoomd.md.many_body | Many-body potentials. | |
hoomd.md.mesh | Mesh potentials. | |
hoomd.md.mesh.bond | Bond potentials applied to a mesh data structure. | |
hoomd.md.methods | Integration methods. | |
hoomd.md.methods.rattle | RATTLE integration methods. | |
hoomd.md.minimize | FIRE energy minimizer. | |
hoomd.md.nlist | Neighbor list acceleration structures. | |
hoomd.md.pair | Pair potentials. | |
hoomd.md.pair.aniso | Anisotropic pair potentials. | |
hoomd.md.special_pair | Pair potentials between special pairs of particles | |
hoomd.md.tune | Tuners. | |
hoomd.md.update | 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.variant | Values that vary as a function of time step. | |
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. |