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I have already seen software-specific branching in several places. At the moment the organization makes adding new software or file formats for an old software very tedious. We should think how to res…
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We are getting a lot of "duplicate label" issues when building the docs.
Took me far too long to debug, but it turns out that the issue is that we have parts of the docs that appear twice under two…
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## Expected behavior ##
We are not necessarily doing anything wrong, but just notifying people that we cannot read H5MD files produced by LAMMPS out of the box. LAMMPS does not use the `units` …
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### Expected behaviour
All tests pass.
### Actual behaviour
```
Ran 4554 tests in 572.048s
FAILED (SKIP=16, failures=1)
```
### Code to reproduce the behaviour
On Fedora rawhide (27) runni…
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# Bug: no search results after adding new sitemaps
### If it is a DocSearch index issue, what is the related `index_name` ?
* `index_name`= mdanalysis
* index file [mdanalysis.json](https:/…
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Unfortunately py3.13 conda-forge packages could not be deployed at this time.
To prevent halting the release we went with py3.10-3.12 on conda-forge and PyPi can do py3.10-3.13.
We should try to r…
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CI shows errors related to duplicate labels
```
/home/runner/work/UserGuide/UserGuide/doc/source/examples/analysis/trajectory_similarity/README.rst:6: WARNING: duplicate label trajectory-similarity,…
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Hi wonderful OpenBabel contributors,
We at the[ MDAnalysis project](https://www.mdanalysis.org/) are developing an OpenBabel to MDAnalysis [converter](https://github.com/MDAnalysis/mda-openbabel-co…
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I have recently downloaded pycontact and keep getting this error. I have tried uninstalling all components (cython, MDAnalysis, PyQt5, and pycontact) and redownloading it multiple times, using all pr…
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Currently, the ASE is used for loading coordinate, box size and element information. I wonder if it is possible to load the data through MDAnalysis.Universe?
The coordinate, cell, atom type can be ac…