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@github-actions github-actions released this 15 Jul 15:01
· 44 commits to trunk-patch since this release
v4.8.0
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Added

  • hoomd.mpcd reimplements the MPCD method for simulating hydrodynamic interactions. See the migrating page for an overview and individual class and method documentation for more information (#1784).
  • MPCD tutorial.
  • Support numpy 2.0 (#1797)
  • hoomd.hpmc.external.External provides an abstract interface to external potentials (#1811).
  • hoomd.hpmc.external.Linear computes the potential as a linear function of the distance from a point to a plane (#1811).
  • HPMCIntegrator.external_potentials sets the list of external potentials applied to the system (#1811).
  • hpmc.pair.ExpandedGaussian computes the expanded Gaussian pair potential in HPMC (#1817).

Changed

  • Miscellaneous documentation improvements (#1786, #1800, #1820).
  • Provide an error message for invalid Ellipsoid shape parameters (#1785).
  • Provide the full CUDA error message when scanning devices (#1803).
  • Test with gcc14, clang17, and clang18. No longer test with clang10, clang11, or clang12. (#1798, #1816).
  • Ensure that Gaussian-type pair potentials have positive sigma values (#1810).
  • Demonstrate Step and AngularStep in the tutorial "Modelling Patchy Particles".
  • Fixed typographical errors in all tutorials.

Fixed

  • Issue the proper error message when ALJ.shape is not set for all particle types (#1808).
  • Correctly apply Brownian torque when elements of the inertia tensor are 0 (#1825).

Deprecated

  • HPMCIntegrator.external_potential - use HPMCIntegrator.external_potentials (#1811).
  • hoomd.hpmc.external.user.CPPExternalPotential - use hoomd.hpmc.external.Linear or write a custom component in C++ (#1811).

Removed

  • Support for Python 3.8 (#1797).
Assets 3