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Low Activity
Commits
: Listings
Analyzed
about 19 hours
ago. based on code collected
2 days
ago.
Apr 18, 2023 — Apr 18, 2024
Showing page 1 of 393
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Merge pull request #2682 from fredrikw/fix_test_obconvwriter_pcjson
Geoff Hutchison
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about 1 month ago
Fix failing test in testobconv_writers
fredrikw
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about 1 month ago
Merge pull request #2654 from ghutchis/more-cjson
Geoff Hutchison
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5 months ago
Merge pull request #2653 from ghutchis/fix-xtb-gaussian-vibrations
Geoff Hutchison
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5 months ago
Merge pull request #2637 from dkoes/segnames
Geoff Hutchison
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5 months ago
Merge pull request #2649 from fredrikw/gh_2646
Geoff Hutchison
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5 months ago
Add more cjson features, including conformer energies
Geoff Hutchison
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5 months ago
Fixup new bug with xtb Gaussian vibration output (Raman = 0.0)
Geoff Hutchison
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5 months ago
Fix parsing "Gaussian" vibration output from xtb program
Geoff Hutchison
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5 months ago
Added aromtic handling as in mdlformat
Fredrik Wallner
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5 months ago
Add test
Fredrik Wallner
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5 months ago
Fix bugs with segnames
David Koes
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5 months ago
Merge pull request #2640 from ghutchis/add-cjson-spacegroup
Geoff Hutchison
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6 months ago
Make sure to add cell vectors & space group info to CJSON
Geoff Hutchison
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6 months ago
Merge pull request #2635 from timvdm/modern-cpp-iterators
Geoff Hutchison
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6 months ago
segname test case
David Koes
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6 months ago
Parse and handle segment name in pdb file.
David Koes
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6 months ago
Merge pull request #2598 from DStarEpoch/bugfix/residue_obj_bug_on_reading_gro_file
Geoff Hutchison
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6 months ago
Add support for C++11 (was using C++20)
Tim Vandermeersch
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6 months ago
Add OBAtom::GetNbrs()
Tim Vandermeersch
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6 months ago
Add support for range-based for loops
Tim Vandermeersch
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6 months ago
Merge pull request #2608 from dkoes/obrmsfix
Geoff Hutchison
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6 months ago
Merge pull request #2634 from timvdm/bugfixes
Geoff Hutchison
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6 months ago
Merge branch 'master' of https://github.com/openbabel/openbabel
Tim Vandermeersch
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6 months ago
Fix bug in distance geometry code
Tim Vandermeersch
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6 months ago
Merge pull request #2629 from ghutchis/dont-wrap-cif-coordinates
Geoff Hutchison
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7 months ago
By default do not wrap atomic coordinates to the unit cell
Geoff Hutchison
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7 months ago
More python2 test changes for macos
David Koes
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9 months ago
Old style formatting
David Koes
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9 months ago
Use old style string formating for MacOS
David Koes
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9 months ago
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