HOOMD-blue 4.3.0 release

[Joshua Anderson]

All,

HOOMD-blue 4.3.0 is now available. Thanks to all who reviewed changes, submitted bug reports, and contributed code! The source code and Docker images are available now. Conda-forge packages should be available a few hours after this message. See below for the detailed change log, which is also included in the documentation.

Thanks to all who made this release possible.
* New contributor: Alex Lee.
* Continuing contributors: Joshua A. Anderson, Tim Moore.

Links:

Documentation: https://hoomd-blue.readthedocs.io
Releases: https://github.com/glotzerlab/hoomd-blue/releases
Report issues: https://github.com/glotzerlab/hoomd-blue/issues
Contribute: https://github.com/glotzerlab/hoomd-blue/pulls

Change log:

Fixed
• md.alchemy.methods.NVT now evolves the elements provided in alchemical_dof (#1633).
• More consistent notice messages regarding MPI ranks used in GPU selection (#1635).
• hoomd.hpmc.compute.SDF computes correct pressures with patchy potentials. (#1636).
Added
• Support GCC 13 (#1634).
• Support Python 3.12 (#1634).
• tau parameter to hoomd.md.methods.thermostats.Bussi (#1619).
Changed
• Revise class documentation. (#1628).
• Add more code snippets to the class documentation (#1628).
------
Joshua A. Anderson, Ph.D.
Research Area Specialist, Chemical Engineering, University of Michigan

[Work Ren]

Hi Dr. Joshua A. Anderson,

Very glad to see the accelerated upgrade for this great program. 

One quick question here, do you have any plan to upgrade the DPD code for hoomd, to include the electrostatic interactions etc. I think Hoomd is the fatest code to run DPD simulations, however, the lack of electrostatic interactions somewhat limits its application. As you know DPD is so widely used in the field.

Thanks a lot.

Best Regards

Ren Hua

Joshua Anderson <joaa...@umich.edu> 于2023年10月31日周二 18:48写道：

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[Joshua Anderson]

Ren,

If there is a particular electrostatics model you are interested in, you are welcome to contribute it.

There have been no new features added to the DPD implementation in HOOMD since it was was developed in 2010.

------

Joshua A. Anderson, Ph.D.

Research Area Specialist, Chemical Engineering, University of Michigan

To view this discussion on the web visit https://groups.google.com/d/msgid/hoomd-users/CAFL9-XomO8TqZf9W1KKKnKNEjX3SsPKwH16oSj%3DMaJYqzJmKfQ%40mail.gmail.com.