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