Skip to content

v6.0.0

Latest

Choose a tag to compare

@github-actions github-actions released this 21 Nov 22:02
· 1 commit to trunk since this release
2da95f6

Added

  • Implemented rigid body compatibility with MPCD without MPI (#2136).
  • Add thermodynamically consistent frictional contact forces: hoomd.md.pair.friction (#2116).
  • create_bodies method takes optional masses argument to set masses (#2169).

Fixed

  • Use the provided alpha parameter in make_pppm_coulomb_forces (#2153).
  • Add a unit test to verify that the export name of hoomd.hpmc.compute.FreeVolume, and resolved the existing export name conflicts (#2163).
  • Scale move sizes correctly when the acceptance rate is 0 (#2174).

Changed

  • Setting two tuples of type parameters like this lj.r_cut[('A', 'B'), ('C', 'D')] = ... now sets the parameters A-B and C-D. This is consistent with the behavior when setting more than two parameters. For example: lj.r_cut[('A', 'B'), ('C', 'D'), ('E', 'F')] = ... sets parameters for A-B, C-D, and E-F. In previous HOOMD-blue releases, the two-tuple code path was different (it would set A-C, A-D, B-C, and B-D). Update your scripts accordingly. (#2157)