Hide navigation sidebar

Hide table of contents sidebar

Skip to content

Toggle site navigation sidebar

HOOMD-blue 5.0.1 documentation

Toggle table of contents sidebar

Guides

Getting started
Toggle navigation of Getting started
Tutorials
Toggle navigation of Tutorials
- Introducing HOOMD-blue
  Toggle navigation of Introducing HOOMD-blue
- Introducing Molecular Dynamics
  Toggle navigation of Introducing Molecular Dynamics
- Logging
  Toggle navigation of Logging
- Parallel Simulation With MPI
  Toggle navigation of Parallel Simulation With MPI
- Custom Actions in Python
  Toggle navigation of Custom Actions in Python
- Organizing and Executing Simulations
  Toggle navigation of Organizing and Executing Simulations
- Modelling Rigid Bodies
  Toggle navigation of Modelling Rigid Bodies
- Modelling Patchy Particles
  Toggle navigation of Modelling Patchy Particles
  - The Kern–Frenkel Model
  - Simulating a System of Patchy Particles with HPMC
- Placing barriers in the simulation box
  Toggle navigation of Placing barriers in the simulation box
- Introducing Multiparticle Collison Dynamics
  Toggle navigation of Introducing Multiparticle Collison Dynamics
  - Pressure-Driven Flow Between Parallel Plates
  - Diffusion of a Solution of Nearly-Hard Spheres
How-to
Toggle navigation of How-to

Python API

hoomd
Toggle navigation of hoomd
- box
  Toggle navigation of box
  - BoxInterface
- communicator
  Toggle navigation of communicator
  - Communicator
- custom
  Toggle navigation of custom
  - Action
  - CustomOperation
- data
  Toggle navigation of data
- device
  Toggle navigation of device
  - CPU
  - Device
  - GPU
  - NoticeFile
  - auto_select
- error
  Toggle navigation of error
- filter
  Toggle navigation of filter
  - All
  - CustomFilter
  - Intersection
  - Null
  - ParticleFilter
  - Rigid
  - SetDifference
  - Tags
  - Type
  - Union
- logging
  Toggle navigation of logging
- mesh
  Toggle navigation of mesh
  - Mesh
- operation
  Toggle navigation of operation
  - AutotunedObject
  - Compute
  - Integrator
  - Operation
  - TriggeredOperation
  - Tuner
  - Updater
  - Writer
- trigger
  Toggle navigation of trigger
  - After
  - And
  - Before
  - Not
  - On
  - Or
  - Periodic
  - Trigger
- tune
  Toggle navigation of tune
- update
  Toggle navigation of update
- util
  Toggle navigation of util
  - make_example_simulation
- variant
  Toggle navigation of variant
  - box
    Toggle navigation of box
  - Constant
  - Cycle
  - Power
  - Ramp
  - Variant
- version
- wall
  Toggle navigation of wall
  - Cylinder
  - Plane
  - Sphere
  - WallGeometry
- write
  Toggle navigation of write
  - Burst
  - CustomWriter
  - DCD
  - GSD
  - HDF5Log
  - Table
- Box
- Operations
- Simulation
- Snapshot
- State
hpmc
Toggle navigation of hpmc
- compute
  Toggle navigation of compute
  - FreeVolume
  - SDF
- external
  Toggle navigation of external
- integrate
  Toggle navigation of integrate
- nec
  Toggle navigation of nec
  - integrate
    Toggle navigation of integrate
  - tune
    Toggle navigation of tune
    - ChainTime
- pair
  Toggle navigation of pair
  - AngularStep
  - ExpandedGaussian
  - LJGauss
  - LennardJones
  - OPP
  - Pair
  - Step
  - Union
- shape_move
  Toggle navigation of shape_move
  - Elastic
  - ShapeMove
  - ShapeSpace
  - Vertex
- tune
  Toggle navigation of tune
  - BoxMCMoveSize
  - MoveSize
- update
  Toggle navigation of update
  - BoxMC
  - GCA
  - MuVT
  - QuickCompress
  - Shape
md
Toggle navigation of md
- alchemy
  Toggle navigation of alchemy
  - methods
    Toggle navigation of methods
    - Alchemostat
    - NVT
  - pair
    Toggle navigation of pair
- angle
  Toggle navigation of angle
  - Angle
  - CosineSquared
  - Harmonic
  - Table
- bond
  Toggle navigation of bond
  - Bond
  - FENEWCA
  - Harmonic
  - Table
  - Tether
- compute
  Toggle navigation of compute
  - HarmonicAveragedThermodynamicQuantities
  - ThermodynamicQuantities
- constrain
  Toggle navigation of constrain
- data
  Toggle navigation of data
- dihedral
  Toggle navigation of dihedral
  - Dihedral
  - OPLS
  - Periodic
  - Table
- external
  Toggle navigation of external
  - field
    Toggle navigation of field
    - Electric
    - Field
    - Magnetic
    - Periodic
  - wall
    Toggle navigation of wall
    - ForceShiftedLJ
    - Gaussian
    - LJ
    - Mie
    - Morse
    - WallPotential
    - Yukawa
- force
  Toggle navigation of force
  - Active
  - ActiveOnManifold
  - Constant
  - Custom
  - Force
- improper
  Toggle navigation of improper
- long_range
  Toggle navigation of long_range
  - pppm
    Toggle navigation of pppm
    - Coulomb
    - make_pppm_coulomb_forces
- manifold
  Toggle navigation of manifold
  - Cylinder
  - Diamond
  - Ellipsoid
  - Gyroid
  - Manifold
  - Plane
  - Primitive
  - Sphere
- many_body
  Toggle navigation of many_body
- mesh
  Toggle navigation of mesh
  - bending
    Toggle navigation of bending
    - BendingRigidity
    - Helfrich
  - bond
    Toggle navigation of bond
    - FENEWCA
    - Harmonic
    - Tether
  - conservation
    Toggle navigation of conservation
  - MeshPotential
- methods
  Toggle navigation of methods
  - rattle
    Toggle navigation of rattle
  - thermostats
    Toggle navigation of thermostats
    - Berendsen
    - Bussi
    - MTTK
    - Thermostat
  - Brownian
  - ConstantPressure
  - ConstantVolume
  - DisplacementCapped
  - Langevin
  - Method
  - OverdampedViscous
  - Thermostatted
- minimize
  Toggle navigation of minimize
  - FIRE
- nlist
  Toggle navigation of nlist
  - Cell
  - NeighborList
  - Stencil
  - Tree
- pair
  Toggle navigation of pair
  - aniso
    Toggle navigation of aniso
  - Buckingham
  - DLVO
  - DPD
  - DPDConservative
  - DPDLJ
  - Ewald
  - ExpandedGaussian
  - ExpandedLJ
  - ExpandedMie
  - ForceShiftedLJ
  - Fourier
  - Gaussian
  - LJ
  - LJ0804
  - LJ1208
  - LJGauss
  - Mie
  - Moliere
  - Morse
  - OPP
  - Pair
  - ReactionField
  - TWF
  - Table
  - Yukawa
  - ZBL
- special_pair
  Toggle navigation of special_pair
  - Coulomb
  - LJ
  - SpecialPair
- tune
  Toggle navigation of tune
  - NeighborListBuffer
- update
  Toggle navigation of update
- HalfStepHook
- Integrator
mpcd
Toggle navigation of mpcd
- collide
  Toggle navigation of collide
- fill
  Toggle navigation of fill
  - GeometryFiller
  - VirtualParticleFiller
- force
  Toggle navigation of force
- geometry
  Toggle navigation of geometry
- methods
  Toggle navigation of methods
  - BounceBack
- stream
  Toggle navigation of stream
- tune
  Toggle navigation of tune
  - ParticleSorter
- Integrator

Reference

Documentation
Toggle navigation of Documentation
- Notation
- Units
- Logo
Changes
Toggle navigation of Changes
For developers
Toggle navigation of For developers
Open source
Toggle navigation of Open source
- License
- Credits
Index

Toggle table of contents sidebar

integrate¶

Newtonain Event-Chain Integrators for Hard Particle Monte Carlo.

Classes

ConvexPolyhedron
HPMCNECIntegrator
Sphere

ConvexPolyhedron

Development of HOOMD-blue is led by the Glotzer Group at the University of Michigan (supported by NSF DMR 1808342) with many external contributions.

Copyright © 2009-2025 The Regents of the University of Michigan

Made with Sphinx and @pradyunsg's Furo