-
### Description
`hoomd.hpmc.compute.FreeVolume` always assumes the box is 3D. This leads to errors in the free volume computation.
### Script
```python
import hoomd
snapshot = hoomd.Snaps…
-
### Description
There is a problem with this code:
https://github.com/glotzerlab/hoomd-blue/blob/03e25a0a17913f55094b1e880d4ed74abc252c1c/hoomd/md/IntegratorTwoStep.cc#L159-L165
The intention is …
-
I am not sure exactly when it happened, but recent EasyBuild versions broke template replacement in `configopts` when using `multi_deps`, i.e. :
```python
multi_deps = {'Python': ['3.10', '3.9', '3…
-
### Description
Hoomd v3.7.0 fails to compile with CUDA 12.0.
After downgrade to CUDA 11.7 it compiles fine.
**System specs:**
> System: Kernel: 5.4.0-135-generic x86_64 bits: 64 compiler: …
-
Hi all,
I have been trying to keep the pysages module up to date on midway2 and midway3; following the steps described in https://hackmd.io/Jbpc1E2kRbKPLUnmLKwINA
While the abf example script w…
-
### Description
When initializing from a snapshot (either a `hoomd.Snapshot` or a `gsd.hoomd.Snapshot`) where the `particle.body` values are not `-1`, a memory error occurs.
### Script
```pyt…
-
## Description
Remove the diameter shifting logic in all C++ neighbor list implementations.
## Motivation and context
With the removal of SLJ and related methods in v3, this code is no lo…
-
### Description
Mention in the `constrain.Rigid` that users should enable the `'body'` exclusion in the neighbor list.
### Motivation and context
Body exclusions prevent the computation of self-int…
-
https://github.com/glotzerlab/hoomd-blue/blob/008828051e9030451f2dc84b69f8df851b75f9d1/hoomd/hpmc/compute.py#L331-L336
This code can results in different lengths for the arrays, resulting in `TypeE…
-
### Solution to issue cannot be found in the documentation.
- [X] I checked the documentation.
### Issue
The `hoomd-config.cmake` file as well as the rest of the files usually found in `$CONDA_PREF…