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lammps.py errors First Time Contributor Greetings #430: Pull request #4458 opened by nataliyah123
February 15, 2024 08:28 29s
February 15, 2024 08:28 29s
fixed pca.py errors First Time Contributor Greetings #429: Pull request #4457 opened by nataliyah123
February 14, 2024 04:10 27s
February 14, 2024 04:10 27s
timestep First Time Contributor Greetings #428: Pull request #4447 opened by nataliyah123
February 3, 2024 06:49 44s
February 3, 2024 06:49 44s
Adding arm64-osx to gh deploy action First Time Contributor Greetings #427: Pull request #4445 opened by IAlibay
January 31, 2024 16:58 26s
January 31, 2024 16:58 26s
add 3.12 to cron runners First Time Contributor Greetings #426: Pull request #4443 opened by IAlibay
January 30, 2024 21:11 26s
January 30, 2024 21:11 26s
Add new M1 macOS GitHub runner to CI First Time Contributor Greetings #425: Pull request #4442 opened by RMeli
January 30, 2024 16:33 31s
January 30, 2024 16:33 31s
Change test class name for ITP tests First Time Contributor Greetings #424: Pull request #4440 opened by lilyminium
January 24, 2024 10:13 32s
January 24, 2024 10:13 32s
Replaced numpy.testing.assert_almost_equal to numpy.testing.assert_allclose First Time Contributor Greetings #423: Pull request #4438 opened by aditya292002
January 24, 2024 09:11 1m 25s
January 24, 2024 09:11 1m 25s
Switch diffusionmap iteration to _sliced_trajectory First Time Contributor Greetings #422: Pull request #4433 opened by marinegor
January 17, 2024 21:44 27s
January 17, 2024 21:44 27s
Cleaning up packaging for package First Time Contributor Greetings #421: Pull request #4424 opened by IAlibay
January 14, 2024 23:13 27s
January 14, 2024 23:13 27s
Fix bug in PCA trajectory iteration -- avoid explicit usage of self.start First Time Contributor Greetings #420: Pull request #4423 opened by marinegor
January 12, 2024 14:23 28s
January 12, 2024 14:23 28s
Used between to update donors_sel and acceptors_sel First Time Contributor Greetings #419: Pull request #4422 opened by Sumit112192
January 11, 2024 14:01 33s
January 11, 2024 14:01 33s
Accessible Surface Area calculations First Time Contributor Greetings #418: Pull request #4417 opened by JureCerar
January 8, 2024 20:30 1m 30s
January 8, 2024 20:30 1m 30s
Feat: Add n_initial_contacts attribute and document Contacts class attributes First Time Contributor Greetings #417: Pull request #4415 opened by HeetVekariya
January 7, 2024 06:34 28s
January 7, 2024 06:34 28s
Fix types on XDR::xdr_ops function struct for clang16 compilation First Time Contributor Greetings #416: Pull request #4408 opened by hmacdope
January 3, 2024 07:04 26s
January 3, 2024 07:04 26s
ChainedReader __repr__ fix for MemoryReader sub-readers First Time Contributor Greetings #415: Pull request #4407 opened by ljwoods2
January 2, 2024 05:55 26s
January 2, 2024 05:55 26s
Deprecate waterdynamics and replace with waterdynamics mdakit First Time Contributor Greetings #414: Pull request #4404 opened by IAlibay
December 29, 2023 16:50 30s
December 29, 2023 16:50 30s
Deprecate PSA and replace with PathSimAnalysis mdakit First Time Contributor Greetings #413: Pull request #4403 opened by IAlibay
December 29, 2023 15:52 31s
December 29, 2023 15:52 31s
Update minimum numpy support to match 1.23[.2] First Time Contributor Greetings #412: Pull request #4402 opened by IAlibay
December 29, 2023 15:03 28s
December 29, 2023 15:03 28s
Add workflow dispatch to CI actions First Time Contributor Greetings #411: Pull request #4398 opened by IAlibay
December 28, 2023 09:25 28s
December 28, 2023 09:25 28s
Fix deploy action First Time Contributor Greetings #410: Pull request #4396 opened by IAlibay
December 27, 2023 00:06 27s
December 27, 2023 00:06 27s
Start 2.8.0-dev0 First Time Contributor Greetings #409: Pull request #4395 opened by IAlibay
December 26, 2023 23:29 31s
December 26, 2023 23:29 31s
Add Cython 3.0.7 generated files First Time Contributor Greetings #408: Pull request #4393 opened by IAlibay
December 26, 2023 19:43 1m 25s
December 26, 2023 19:43 1m 25s
Change the target build names for cibuildwheels for cirrus First Time Contributor Greetings #407: Pull request #4392 opened by IAlibay
December 26, 2023 19:09 28s
December 26, 2023 19:09 28s
Tie off 2.7.0, add release upper pin (numpy) First Time Contributor Greetings #406: Pull request #4389 opened by IAlibay
December 26, 2023 17:29 30s
December 26, 2023 17:29 30s