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@github-actions github-actions released this 20 Mar 12:36
· 1447 commits to trunk-patch since this release
v4.6.0
27a7d0a
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Fixed

  • create_state_from_gsd reads bond/angle/dihedral/improper/pair types when there are no corresponding groups (#1729).

Added

  • hoomd.variant.box.BoxVariant - Describe boxes that change as a function of timestep (#1685).
  • hoomd.variant.box.Constant - A constant box (#1685).
  • hoomd.variant.box.Interpolate - Linearly interpolate between two boxes (#1685).
  • hoomd.variant.box.InverseVolumeRamp - Linearly ramp the inverse volume of the system (#1685).
  • hoomd.hpmc.update.QuickCompress now accepts a hoomd.variant.box.BoxVariant object for [target_box]{.title-ref} (#1736).
  • box argument to hoomd.update.BoxResize that accepts a hoomd.variant.box.BoxVariant (#1740).
  • hoomd.hpmc.pair.Union computes pair potentials between unions of points. Replaces CPPPotentialUnion (#1725).
  • hoomd.hpmc.pair.Step - A step function potential (#1732).
  • hoomd.hpmc.pair.AngularStep - Angular patches on particles with step function interactions (e.g. Kern-Frenkel) (#1728).

Changed

  • Use FindPython on modern CMake installations. You may need to adjust build scripts in cases where the new behavior does not exactly match the old (i.e. use -DPython_EXECUTABLE in place of -DPYTHON_EXECUTABLE) (#1730).
  • External components must switch from pybind11_add_module to hoomd_add_module (#1730).

Deprecated

  • box1, box2, and variant arguments to hoomd.update.BoxResize (#1740).
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