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HOOMD-blue 7.0.1 documentation

Guides

Getting started
Tutorials
How-to

Python API

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

Reference

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

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minimize¶

Energy minimizer for molecular dynamics.

Classes

FIRE

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

Made with Sphinx and @pradyunsg's Furo