Merge branch 'develop' into simple-atomic-distance-analysis |
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over 1 year ago
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Merge pull request #4149 from MDAnalysis/update-deploy-action |
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over 1 year ago
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Merge pull request #4140 from xhgchen/universe-empty-multiple-frames |
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over 1 year ago
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Merge branch 'develop' into universe-empty-multiple-frames |
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over 1 year ago
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ChainReader now subclasses BaseReader (#3906) |
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over 1 year ago
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Read tempfactors into ts.data [fixes #3825] (#3988) |
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over 1 year ago
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remove temporary change |
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over 1 year ago
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temporarily enable on PR to develop |
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over 1 year ago
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Add cron and remove py38 |
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over 1 year ago
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Switching to importlib resources (#4056) |
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over 1 year ago
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Revert "Temporarily pin chemfiles to <0.10.4 (#4143)" (#4147) |
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over 1 year ago
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remove binder notebooks badge (#4146) |
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over 1 year ago
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bye bye Travis, thanks for all the fish (#4144) |
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over 1 year ago
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Temporarily pin chemfiles to <0.10.4 (#4143) |
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over 1 year ago
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Add writing u.trajectory.ts.data['molecule_tag'] as molecule_tag atom attribute to LAMMPS datafile (#4114) |
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over 1 year ago
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Update CHANGELOG |
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over 1 year ago
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Add kwarg n_frames to Universe.empty() (#4110) |
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over 1 year ago
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Fix the case where distance_type = 'heavy' in water bridge analysis (#4066) |
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over 1 year ago
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Merge pull request #4135 from MDAnalysis/conduct-report-NF |
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over 1 year ago
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update CoC with option to report to NumFOCUS |
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over 1 year ago
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Merge pull request #4133 from MDAnalysis/loose-formalpdb |
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over 1 year ago
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Add versionchanged entry |
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over 1 year ago
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don't populate formalcharges if bad entry is encountered |
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over 1 year ago
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MAINT: Cython 3.x compat fix read-only (#4129) |
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over 1 year ago
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Switch to hole2 install via conda-forge (#4131) |
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over 1 year ago
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Ensure 'HydrogenBondAnalysis' returns the correct distances when using the 'between' keyword (#4092) |
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over 1 year ago
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Add roundtrip sdist build in CI (Issue #3969) (#4124) |
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over 1 year ago
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Speed up build time using micromamba (#4121) |
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over 1 year ago
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Merge pull request #4126 from MDAnalysis/fix-rtd-action |
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almost 2 years ago
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Add aarch64 testing via CirrusCI (#4120) |
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almost 2 years ago
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