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Moderate Activity
Commits
: Listings
Analyzed
about 1 hour
ago. based on code collected
about 6 hours
ago.
Apr 23, 2023 — Apr 23, 2024
Showing page 1 of 235
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Fix sdist CI tests for package name normalization (#4572)
Irfan Alibay
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2 days ago
Don't fail on codecov upload error (#4575)
Irfan Alibay
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2 days ago
Fix citation notation in README.rst (#4571)
Lily Wang
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2 days ago
MAINT: shims for array copy semantics (#4482)
Tyler Reddy
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2 days ago
lammps.py errors (#4458)
nataliyah123
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22 days ago
Fix: Pca.py doctest error (#4377)
Heet Vekariya
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23 days ago
Convert "Quantity" to raw value for kinetic_energy and potential_energy in OpenMM reader (#4548)
Orion Cohen
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24 days ago
dihedral selection (phi,psi,omega,chi1) methods can handle empty groups (#4529)
Kai Niklas Spauszus
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25 days ago
Fix: align.py doctest error (PR #4521)
Valerij Talagayev
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25 days ago
Implement iterative average structure (Issue #2039) (PR #4524)
Leon Wehrhan
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25 days ago
Fix: groups.py doctest fixes (#4374)
ljwoods2
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25 days ago
Added tqdm bar for: pca.transform() (#4531)
Sampurna Mukherjee
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26 days ago
ENH: support tpx 133 (GMX 2024.1) (#4523)
Tyler Reddy
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29 days ago
Raise Python version to 3.10 (#4503)
Irfan Alibay
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about 1 month ago
Improved PDBWriter performance using range & caching (#4472)
BFedder
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about 1 month ago
Remove mutable data from AnalysisBase default argument (#4459)
Philip Loche
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about 1 month ago
Update for external mdahole2 mdakit (#4464)
Irfan Alibay
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about 2 months ago
Extend lammpsdump to accept arbitrary columns (#3608)
PStärk
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about 2 months ago
Replaced numpy.testing.assert_almost_equal to numpy.testing.assert_allclose (#4438)
Aditya Keshari
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about 2 months ago
[PEP518] Improve testsuite packaging (#4463)
Irfan Alibay
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2 months ago
Cleaning up packaging for `package` (#4424)
Irfan Alibay
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2 months ago
ChainedReader __repr__ fix for MemoryReader sub-readers (#4407)
ljwoods2
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2 months ago
Adding arm64-osx to gh deploy action (#4445)
Irfan Alibay
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3 months ago
Add new M1 macOS GitHub runner to CI (#4442)
Rocco Meli
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3 months ago
add 3.12 to cron runners (#4443)
Irfan Alibay
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3 months ago
Feat: Add `n_initial_contacts` attribute and document ```Contacts``` class attributes (#4415)
Heet Vekariya
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3 months ago
Change test class name for ITP tests (#4440)
Lily Wang
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3 months ago
Fix bug in PCA trajectory iteration -- avoid explicit usage of self.start (#4423)
Egor Marin
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3 months ago
Switch diffusionmap iteration to _sliced_trajectory (#4433)
Egor Marin
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3 months ago
Fix: Picklable_file_io.py file doctest errors (#4371)
HeetVekariya
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3 months ago
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