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v3.0.0-beta.7

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@github-actions github-actions released this 16 Jun 12:55
· 8917 commits to trunk-patch since this release
6d1a7d8

Added

  • md.constrain.Rigid - Rigid body constraints.
  • dem_built, hpmc_built, md_built, and mpcd_built to
    hoomd.version - flags that indicate when optional submodules have
    been built.
  • GPU.compute_capability property.
  • [developers] pre-commit enforced style guidelines for the
    codebase.
  • [developers] Validation tests for MD Lennard-Jones simulations.
  • [developers] Unit tests for bond, angle, and dihedral potentials.

Changed

  • Improved documentation on compiling HOOMD.
  • Operations raise a DataAccessError when accessing properties that
    are not available because Simulation.run has not been called.
  • TypeConversionError is now in the hoomd.error package.
  • from_gsd_snapshot only accesses the GSD snapshot on MPI rank 0.

Fixed

  • Some broken references in the documentation.
  • Missing documentation for md.pair.TWF.
  • Inconsistent documentation in md.pair.
  • Correctly identify GPUs by ID in GPU.devices.
  • Don't initialize contexts on extra GPUs on MPI ranks.
  • Support 2D inputs in from_gsd_snapshot.

Deprecated

  • Snapshot.exists - use Snapshot.communicator.rank == 0 instead.

Removed

  • [developers] C++ implementations of rescale_temp and
    enforce2d.
  • [developers] Unused methods of Integrator.