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HOOMD-blue 5.0.0 documentation

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Guides

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

hoomd
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- box
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- communicator
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  - All
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hpmc
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- nec
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  - tune
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  - BoxMCMoveSize
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  - BoxMC
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md
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    - Alchemostat
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- angle
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    - ForceShiftedLJ
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- minimize
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  - FIRE
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  - Buckingham
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  - DPDLJ
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  - LJ
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  - Mie
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mpcd
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Reference

Documentation
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- Notation
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Changes
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For developers
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Open source
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Index

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rattle¶

MD integration methods with manifold constraints.

Classes

Brownian
DisplacementCapped
Langevin
MethodRATTLE
NVE
OverdampedViscous

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 © 2009-2024 The Regents of the University of Michigan

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