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Commits : Listings

Analyzed about 1 hour ago. based on code collected about 6 hours ago.
Apr 23, 2023 — Apr 23, 2024
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Fix sdist CI tests for package name normalization (#4572) More... 2 days ago
Don't fail on codecov upload error (#4575) More... 2 days ago
Fix citation notation in README.rst (#4571) More... 2 days ago
MAINT: shims for array copy semantics (#4482) More... 2 days ago
lammps.py errors (#4458) More... 22 days ago
Fix: Pca.py doctest error (#4377) More... 23 days ago
Convert "Quantity" to raw value for kinetic_energy and potential_energy in OpenMM reader (#4548) More... 24 days ago
dihedral selection (phi,psi,omega,chi1) methods can handle empty groups (#4529) More... 25 days ago
Fix: align.py doctest error (PR #4521) More... 25 days ago
Implement iterative average structure (Issue #2039) (PR #4524) More... 25 days ago
Fix: groups.py doctest fixes (#4374) More... 25 days ago
Added tqdm bar for: pca.transform() (#4531) More... 26 days ago
ENH: support tpx 133 (GMX 2024.1) (#4523) More... 29 days ago
Raise Python version to 3.10 (#4503) More... about 1 month ago
Improved PDBWriter performance using range & caching (#4472) More... about 1 month ago
Remove mutable data from AnalysisBase default argument (#4459) More... about 1 month ago
Update for external mdahole2 mdakit (#4464) More... about 2 months ago
Extend lammpsdump to accept arbitrary columns (#3608) More... about 2 months ago
Replaced numpy.testing.assert_almost_equal to numpy.testing.assert_allclose (#4438) More... about 2 months ago
[PEP518] Improve testsuite packaging (#4463) More... 2 months ago
Cleaning up packaging for `package` (#4424) More... 2 months ago
ChainedReader __repr__ fix for MemoryReader sub-readers (#4407) More... 2 months ago
Adding arm64-osx to gh deploy action (#4445) More... 3 months ago
Add new M1 macOS GitHub runner to CI (#4442) More... 3 months ago
add 3.12 to cron runners (#4443) More... 3 months ago
Feat: Add `n_initial_contacts` attribute and document ```Contacts``` class attributes (#4415) More... 3 months ago
Change test class name for ITP tests (#4440) More... 3 months ago
Fix bug in PCA trajectory iteration -- avoid explicit usage of self.start (#4423) More... 3 months ago
Switch diffusionmap iteration to _sliced_trajectory (#4433) More... 3 months ago
Fix: Picklable_file_io.py file doctest errors (#4371) More... 3 months ago