Walls in v3.0.0-beta.X

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Ben Gilbert

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Aug 18, 2021, 1:43:58 PM8/18/21
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Hi all,

Do you know if there is a roadmap describing when different features from v2 will be ported to the beta releases for v3?

I would like to run an MD simulation with walls and I am trying to determine if it is in my best interest to write my program using v2 or using v3 and then wait on the walls. A rough estimate of the time frame would be much appreciated.

Thank you in advance!

Best,
Ben

Joshua Anderson

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Aug 23, 2021, 8:16:16 AM8/23/21
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Ben,

The project board tracks the status of the v3 development: https://github.com/glotzerlab/hoomd-blue/projects/3

We have started work on walls in MD, but do not yet have a functioning branch. The functionality will be completed as soon as we can manage. Progress may be slowed by other developer responsibilities such as classes, TA obligations, and research.

I would suggest learning v3 and prototyping your scripts using fixed particles as the walls for now.
------
Joshua A. Anderson, Ph.D.
Research Area Specialist, Chemical Engineering, University of Michigan
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