All,
HOOMD-blue v3.2.0 is now available. Thanks to all who tested, submitted bug reports, and contributed code! The source and docker builds are available now. The conda-forge packages will be posted soon. For a summary of the changes in this release, see the attached image or the PDF attached to the GitHub release. See below for the detailed change log, which is also included in the documentation.
Thanks to all who made v3.2.0 possible:
- Continuing contributors: Brandon Butler, Joshua A. Anderson, Philipp Schönhöfer, and Tim Moore.
Links:
Documentation:
https://hoomd-blue.readthedocs.ioReleases:
https://github.com/glotzerlab/hoomd-blue/releasesReport issues:
https://github.com/glotzerlab/hoomd-blue/issuesContribute:
https://github.com/glotzerlab/hoomd-blue/pullsChange log:
*Added*
* ``hoomd.md.nlist.Neighborlist.num_builds`` property - The number of neighbor list builds since the
last call to ``Simulation.run``.
* ``hoomd.md.nlist.Cell.dimensions`` property - The dimensions of the cell list.
* ``hoomd.md.nlist.Cell.allocated_particles_per_cell`` property - The number of particle slots
allocated per cell.
* ``hoomd.mesh.Mesh`` - Triangular mesh data structure.
* ``hoomd.md.mesh.bond`` - Bond potentials on mesh edges.
* Support gcc 12.
* Support clang 14.
* Set ``ENABLE_LLVM=on`` in conda binary builds.
*Fixed*
* Clarify documentation.
* ``Box.dimension`` reports the correct value when reading in 2D boxes from GSD files generated in
HOOMD v2.
* Improve performance of run time compiled HPMC potentials on the CPU.
* Pressing Ctrl-C or interrupting the kernel in Jupyter stops the run at the end of the current
timestep.
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Joshua A. Anderson, Ph.D.
Research Area Specialist, Chemical Engineering, University of Michigan