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Commits : Listings

Analyzed 12 months ago. based on code collected 12 months ago.
Jan 17, 2023 — Jan 17, 2024
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
[CI] Add post deployment conda and pypi cron tests (#4210)
Irfan Alibay
More... over 1 year ago
Add `ignore_same` kwarg to `InterRDF` (#4161)
Orion Cohen
More... over 1 year ago
Deprecate hole2 class in favour of MDAKit (#4200)
Irfan Alibay
More... over 1 year ago
Pin docutils<0.18, sphinx<7.0 (#4196)
Lily Wang
More... over 1 year ago
Add timeout minutes (#4193)
Irfan Alibay
More... over 1 year ago
Merge pull request #4184 from Shubx10/shubham
richardjgowers
as Richard Gowers
More... over 1 year ago
added name in authors
Shubham Kumar
More... over 1 year ago
Merge branch 'develop' of https://github.com/MDAnalysis/mdanalysis into shubham
Shubham Kumar
More... over 1 year ago
Merge pull request #4186 from MDAnalysis/rdkit-pypi
Oliver Beckstein
More... over 1 year ago
DOCS: Align.py changes made (#4182)
Mohit Kumar
More... over 1 year ago
Update setup.py
Irfan Alibay
More... over 1 year ago
Update pyproject.toml
Irfan Alibay
More... over 1 year ago
Update setup.py
Irfan Alibay
More... over 1 year ago
Add rdkit to pyproject.toml
Irfan Alibay
More... over 1 year ago
changed spelling from lettting to letting in readme file
Shubham Kumar
More... over 1 year ago
Fix future warning from GSDReader, go cutting edge (#4153)
richardjgowers
as Richard Gowers
More... over 1 year ago
LAMMPS support for chainreader (#4170)
Jennifer A Clark
More... over 1 year ago
Drop 32bit from azure CI (#4176)
Irfan Alibay
More... over 1 year ago
MAINT, TST: suppress np warns (#4175)
Tyler Reddy
More... over 1 year ago
NEP29, update to Numpy 1.22[.3] (#4160)
Irfan Alibay
More... over 1 year ago
Make GSD optional (#4174)
Irfan Alibay
More... over 1 year ago
Fix DATAWriter, CRD, PQR, and PDBQT compressed file writing (#4163)
Irfan Alibay
More... over 1 year ago
Fix contourpy install for 32bit azure runner and pin GSD (#4171)
Irfan Alibay
More... over 1 year ago
Resolve wrongly merging bond/angle/dihedral types (#4003)
Jennifer A Clark
More... over 1 year ago
Start 2.6.0-dev (#4157)
Irfan Alibay
More... over 1 year ago
make things ready for a 2.5.0 release (#4154)
Irfan Alibay
More... over 1 year ago
Cirrus deploy wheels (#4150)
Irfan Alibay
More... over 1 year ago
Merge pull request #4082 from cbouy/rdkitconverter-improvements
richardjgowers
as Richard Gowers
More... over 1 year ago
Merge branch 'develop' into rdkitconverter-improvements
richardjgowers
as Richard Gowers
More... over 1 year ago
Merge pull request #4105 from xhgchen/simple-atomic-distance-analysis
richardjgowers
as Richard Gowers
More... over 1 year ago