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### Proposed new feature or change:
Since I'm looking into hoomd-blue and this is a widely used simulation suite I would like to include support for hoomd-blue in AMEP.
They already got a python lib…
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Would it be possible to add an optional API to OpenRAND that exposes the full number of bits of the counter state?
I currently use Philox4x32 random123 in HOOMD-blue: https://github.com/glotzerlab/…
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Hi,
I was running the example scripts for HOOMD-Blue umbrella sampling and I am getting the following error.
******ubuntu-20.04.4.sif I have no name!@cs001 HOOMD]$ mpiexec --mca btl self -np 12…
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## File name
02-Simulating-a-System-of-Patchy-Particles.ipynb
## Description
Running this notebook, both within jupyter and as a python script, results in the following error
```
(base) P…
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IN:05609617
CPU version at present, but we should probably add a GPU version if we can too.
I tried updating our existing buildscript to these modules but the test suite segfaults:
```
requ…
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I am currently working on adding support for the [HOOMD-blue simulation engine](https://hoomd-blue.readthedocs.io/en/latest/) (version 3, which is currently in beta). I am opening this issue to commun…
bdice updated
2 years ago
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It would be killer to support this with the sympy stuff:
https://hoomd-blue.readthedocs.io/en/stable/module-md-pair.html#hoomd.md.pair.table
Not sure if it is feasible or not, maybe if the functio…
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I had a bunch of simulations get stuck, and I suspect the issue is with generating the initial particle configuration because the volume fraction was too high. `_pack_particles` should have thrown an …
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Writing the results in a .dat file is one way of doing this.
I think the more python way of doing it, would be to pickle the results.
But either is fine.
_Originally posted by @InnocentBug in htt…
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Hoomd is changing [how plugins work](https://hoomd-blue.readthedocs.io/en/feature-new-object-api/migrating.html#components). Need to migrate