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Commits
: Listings
Analyzed
12 months
ago. based on code collected
12 months
ago.
Jan 17, 2023 — Jan 17, 2024
Showing page 8 of 9
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Fix for NetCDF files with no time (#4074)
Domenico Marson
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almost 2 years ago
fix permissions entries (#4083)
Irfan Alibay
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almost 2 years ago
Try to fix issue with darker lint bot falling over with PRs from forks (#4081)
Irfan Alibay
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almost 2 years ago
chore: update changelog
Cédric Bouysset
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almost 2 years ago
refactor: use RunReactantInPlace to apply standardization reactions
Cédric Bouysset
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almost 2 years ago
refactor: make standardization reactions reachable
Cédric Bouysset
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almost 2 years ago
tests: add previously failing molecules now passing
Cédric Bouysset
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almost 2 years ago
fix: improve heavy atom sorting
Cédric Bouysset
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almost 2 years ago
refactor: move cation charges dict outside of function
Cédric Bouysset
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almost 2 years ago
chore: formatting
Cédric Bouysset
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almost 2 years ago
Move darker information to a PR comment instead (#4067)
Irfan Alibay
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almost 2 years ago
Gyration_moments method / allow shape parameters to yield per residue quantities (#3905)
Jennifer A Clark
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almost 2 years ago
Add readthedocs preview action (#4069)
Irfan Alibay
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almost 2 years ago
Fix doctest for MDAnalysis.core.groups (#3925) (#4062)
xhgchen
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almost 2 years ago
Add xfail on randomly failing 32bit-windows h5md test (#4068)
Irfan Alibay
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almost 2 years ago
Add tests for exception raise in PSA (closes #4036) (#4037)
xhgchen
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almost 2 years ago
fix: get_writer errors if filename is none (#4043)
Jan Domański
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almost 2 years ago
Fix doctest for MDAnalysis.analysis.psa (#4035)
ooprathamm
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almost 2 years ago
Support TPR files produced by gromacs 2023 (#4052)
Jonathan Barnoud
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almost 2 years ago
resolved Issue #4026 (PR #4049)
MoSchaeffler
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almost 2 years ago
Updated test_encore.py (#4032)
Vishal Parmar
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almost 2 years ago
Update gh-ci.yaml
Irfan Alibay
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almost 2 years ago
[CI] Update main ci components to use py311 at upper limit (#4034)
Irfan Alibay
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almost 2 years ago
Fix doctest for MDAnalysis.analysis.encore.similarity (#4021)
chrispfae
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almost 2 years ago
[doc] Resolving doc index issue. (#4011)
ooprathamm
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almost 2 years ago
Fix: EDRReader fails when reading only one step (#4030)
BFedder
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almost 2 years ago
Merge pull request #4033 from MDAnalysis/fix-cirrus
Tyler Reddy
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almost 2 years ago
Update .cirrus.yml
Irfan Alibay
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almost 2 years ago
Add distopia! (#3914)
Hugo MacDermott-Opeskin
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almost 2 years ago
Added copy method for AuxReaders (#3887)
BFedder
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almost 2 years ago
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