| Read chainID from PDBQT (#4284) |
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over 1 year ago
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| Merge pull request #4288 from lilyminium/fix-pdbqt-segid-docs |
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over 1 year ago
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| Add NF to acknowledgment (for event text) |
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over 1 year ago
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| Add test to clarify that CoC Committee is responsible for enforcement |
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over 1 year ago
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| Add reporting procedures for events |
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over 1 year ago
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| Clarify that 'we' refers to CoC Committee |
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over 1 year ago
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| Remove option to report by email |
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over 1 year ago
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| TPR reader sets `chainID` from `molblock` (#4281) |
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over 1 year ago
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| s/first/last |
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over 1 year ago
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| Fix hbonds path (#4286) |
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over 1 year ago
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| Switch docs theme (#4276) |
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over 1 year ago
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| Merge pull request #4273 from MDAnalysis/qcprot_floating |
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over 1 year ago
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| Try to fix doc deployment (#4280) |
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over 1 year ago
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| Switch away from build_sphinx (#4278) |
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over 1 year ago
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| MAINT: NumPy recarray shim (#4275) |
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over 1 year ago
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| Merge branch 'develop' into qcprot_floating |
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over 1 year ago
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| Merge remote-tracking branch 'origin/qcprot_floating' into qcprot_floating |
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over 1 year ago
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| ues assert_allclose not assert_array_almost_equal |
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over 1 year ago
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| Ensure NoJump handles jumps that occur on the second frame in NPT trajectories (#4258) |
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over 1 year ago
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| Add support for reading chainID info from prmtop amber topologies. (#4007) |
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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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| revert changing qcprot.FastCalcRMSD to use floating |
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over 1 year ago
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| regression tests for qcprot |
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over 1 year ago
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| tests: fixes to test_align |
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over 1 year ago
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| qcprot doc tweaks |
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over 1 year ago
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| Merge branch 'develop' into qcprot_floating |
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over 1 year ago
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| clarify optional arguments to qcprot functions |
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over 1 year ago
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| Docs warning for charge in DielectricConstant (#4263) |
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over 1 year ago
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| update qcprot to cython.floating types |
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over 1 year ago
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| Fix gh cron CI (#4272) |
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over 1 year ago
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