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(Somewhat abstract) idea: Add unit test(s) to make sure that new features don't negatively affect the performance of GMSO. I'm not exactly sure what this looks like, but something along the lines of b…
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**Is your feature request related to a problem? Please describe.**
Being able to identify pairs when in a fully non-periodic or slightly non-periodic (non-periodic in >=1 dimension(s)) would be ext…
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In [mBuild's xyz writer](https://github.com/mosdef-hub/mbuild/blob/c79a58e54f16b76bb540553dd2930da0e758951e/mbuild/formats/xyz.py#L96) we had a flag that if `True` wrote out the atom names (i.e. types…
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### Tool
Visual Studio Code extension
### Description
I'm trying to build the sample Blinky Project. However, this happens with all projects (even newly created ones).
When running the "na…
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## Environment Information
Open Babel version: openbabel 3.0.0
Operating system and version: Ubuntu 18.04, Python 2.7.17
I want to generate a reasonable 3D structure from SMILES string (take 'C1C…
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I have encountered the following error :
`make -j4
g++ -DHAVE_CONFIG_H -I. -I./include -DLT_CONFIG_H='' -DLTDL -I. -I. -Ilibltdl -I./libltdl -Ilibltdl/libltdl -I./libltdl/libltdl -I/usr/local/inc…
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Migrated from [rt.perl.org#132183](https://rt-archive.perl.org/perl6/Ticket/Display.html?id=132183) (status was 'open')
Searchable as RT132183$
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For example: level 3 (ancestor) -> level 2 -> level 1 (particle). Level 3 and level 2 are passed to residues arg, so particle adopts the level 2 residue name, not the level 3 residue name. Within the …
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## Environment Info
- git tag: `9148754b7600fb0ab34dace4cfa328b9f105ea08`
- zig version: `v0.13.0-dev.351+64ef45eb0`
- OS: `Linux mechrevo 6.10.2-arch1-1 #1 SMP PREEMPT_DYNAMIC Sat, 27 Jul 2024 16:…
glyh updated
3 months ago
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## The Problem
META6.json prevents the perl6 command from finding Build.pm.
So, I cannot call `perl6 -I. -Ilib -MBuild -e 'Build.new.build(...)`.
```
$ perl6 -I. -Ilib -MBuild -e 'Build.ne…