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**Submitting author:** @axtimhaus (Max Weiner)
**Repository:** https://github.com/pyroll-project/pyroll-core
**Branch with paper.md** (empty if default branch): joss
**Version:** 2.1
**Editor:** @phil…
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Hello.
I want to help with adding timestamps to videos on [The Julia Programming Language](https://www.youtube.com/channel/UC9IuUwwE2xdjQUT_LMLONoA) channel, so I already read timestamps of some of…
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Thanks
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**Submitting author:** @jmmshn (Jimmy-Xuan Shen)
**Repository:** https://github.com/materialsproject/pymatgen-analysis-defects
**Branch with paper.md** (empty if default branch):
**Version:** v2023.0…
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微博内容精选
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### Describe the bug
When there are a few hundred aiida jobs running on external cluster and the local machine is rebooted all the running jobs become unreachable on completion, i.e. they get stuck…
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**Submitting author:** @pastewka (Lars Pastewka)
**Repository:** https://github.com/libAtoms/matscipy
**Branch with paper.md** (empty if default branch):
**Version:** 0.8.0
**Editor:** @diehlpk
**Rev…
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### Bug summary
[INFO ] Mutating trajectories...
Error: In _GMXMMPBSA_mutant_ligand.mdcrd.0, expect only 3 or 6 box coords, got 5
Error: Box line=[ 41.420 73.110 37.190 40.170 73.040
###…
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## Is your feature request related to a problem? ##
MDAnalysis does not have a transformation to create “unwrapped” no-jump trajectories where particles are never put back in the primary unit cel…
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**Describe the bug**
Blender crashes when some molecular dynamics trajectories are loaded through MolecularNodes with an import filter.
**To Reproduce**
Load the DNA system with the default impo…