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MDAnalysis
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mdacli
Command line interface for MDAnalysis
https://mdacli.readthedocs.io/
GNU General Public License v3.0
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Cleanup logger function
#120
PicoCentauri
closed
4 months ago
1
Update pipeline
#119
hejamu
closed
4 months ago
2
Fix changelog check
#118
hejamu
closed
7 months ago
1
Fix lowercase names
#117
hejamu
closed
7 months ago
4
Add `level` option to `setup_logging `
#116
PicoCentauri
closed
7 months ago
2
Fix #114
#115
hejamu
closed
1 year ago
2
mdacli can't handle choices
#114
hejamu
closed
1 year ago
1
Add canonical name for `AtomGroup` and `Universe`
#113
hejamu
closed
1 year ago
3
Reenable docs deploy
#112
PicoCentauri
closed
1 year ago
3
More infrastructure updates
#111
PicoCentauri
closed
1 year ago
1
Integration tests
#110
hejamu
closed
1 year ago
1
mdacli broken since 0.1.20
#109
hejamu
closed
1 year ago
0
Rename run_analsis to run_analysis and move -nt to base args
#108
hejamu
closed
1 year ago
3
drop py37
#107
joaomcteixeira
closed
1 year ago
2
Correct/Update CI
#106
joaomcteixeira
closed
1 year ago
4
PyPI Readme
#105
joaomcteixeira
closed
1 year ago
0
fix GitHub pages deployment
#104
orbeckst
closed
1 year ago
0
mdacli.mdanalysis.org no longer works for docs
#103
lilyminium
closed
1 year ago
8
Fix classifiier
#102
PicoCentauri
closed
1 year ago
1
Disable gh-pages deploy
#101
PicoCentauri
closed
1 year ago
1
Limit number of threads used by analysis
#100
PicoCentauri
closed
1 year ago
1
Fix #98
#99
hejamu
closed
2 years ago
2
mdacli doesn't loop over single frames
#98
hejamu
closed
2 years ago
2
Typo in libcli.py
#97
hejamu
closed
2 years ago
2
Several changes to infractstructure
#96
PicoCentauri
closed
2 years ago
3
Update README.rst for MDAnalysis 2.1.0 modules
#95
PicoCentauri
closed
2 years ago
1
Generalize argparsing
#94
PicoCentauri
opened
2 years ago
1
Added dihedral module
#93
PicoCentauri
closed
2 years ago
1
Set positional arguments as required in cli
#92
PicoCentauri
closed
2 years ago
2
Do not convert `None` when parsing analysis parameters
#91
PicoCentauri
closed
2 years ago
2
Updates `.bump2version` config when updating `CHANGELOG`
#90
joaomcteixeira
closed
2 years ago
8
build job fails for every version bump commit in main branch
#89
PicoCentauri
closed
2 years ago
0
Added conda install instructions.
#88
PicoCentauri
closed
2 years ago
1
Conda
#87
PicoCentauri
closed
2 years ago
3
Fix gha test
#86
PicoCentauri
closed
2 years ago
3
Fix test banner in README.rst (#85)
#85
PicoCentauri
closed
2 years ago
0
Limit number of threads used by analysis
#84
PicoCentauri
closed
1 year ago
0
Improved help for run parameters
#83
PicoCentauri
closed
2 years ago
1
Allow list of AtomGroups as parameters
#82
PicoCentauri
closed
2 years ago
4
Improves and corrects regex to convert string to timestep and frames
#81
joaomcteixeira
closed
2 years ago
2
Fix docs URL
#80
lilyminium
closed
2 years ago
2
incorrect url for sitemap
#79
orbeckst
closed
2 years ago
1
Deploy docs
#78
lilyminium
closed
2 years ago
8
docs on RTD contain Google Analytics
#77
orbeckst
closed
2 years ago
2
fix site_url in docs
#76
orbeckst
closed
2 years ago
1
Update links
#75
PicoCentauri
closed
2 years ago
1
Code snippet for inspecting arguments of MDA
#74
PicoCentauri
opened
2 years ago
0
some of the API docs are missing
#73
orbeckst
closed
2 years ago
1
add RTD doc build to required checks in PR
#72
orbeckst
closed
2 years ago
1
show docs under www.mdanalysis.org
#71
orbeckst
closed
2 years ago
1
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