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Analyzed 11 months ago. based on code collected 12 months ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Jan 17, 2023 — Jan 17, 2024 Showing page 1 of 2 Search / Filter on:
Merge pull request #2654 from ghutchis/more-cjson	Geoff Hutchison	More...				about 1 year ago
Merge pull request #2653 from ghutchis/fix-xtb-gaussian-vibrations	Geoff Hutchison	More...				about 1 year ago
Merge pull request #2637 from dkoes/segnames	Geoff Hutchison	More...				about 1 year ago
Merge pull request #2649 from fredrikw/gh_2646	Geoff Hutchison	More...				about 1 year ago
Add more cjson features, including conformer energies	Geoff Hutchison	More...				about 1 year ago
Fixup new bug with xtb Gaussian vibration output (Raman = 0.0)	Geoff Hutchison	More...				about 1 year ago
Fix parsing "Gaussian" vibration output from xtb program	Geoff Hutchison	More...				about 1 year ago
Added aromtic handling as in mdlformat	Fredrik Wallner	More...				about 1 year ago
Add test	Fredrik Wallner	More...				about 1 year ago
Fix bugs with segnames	David Koes	More...				about 1 year ago
Merge pull request #2640 from ghutchis/add-cjson-spacegroup	Geoff Hutchison	More...				about 1 year ago
Make sure to add cell vectors & space group info to CJSON	Geoff Hutchison	More...				about 1 year ago
Merge pull request #2635 from timvdm/modern-cpp-iterators	Geoff Hutchison	More...				about 1 year ago
segname test case	David Koes	More...				about 1 year ago
Parse and handle segment name in pdb file.	David Koes	More...				about 1 year ago
Merge pull request #2598 from DStarEpoch/bugfix/residue_obj_bug_on_reading_gro_file	Geoff Hutchison	More...				about 1 year ago
Add support for C++11 (was using C++20)	Tim Vandermeersch	More...				about 1 year ago
Add OBAtom::GetNbrs()	Tim Vandermeersch	More...				about 1 year ago
Add support for range-based for loops	Tim Vandermeersch	More...				about 1 year ago
Merge pull request #2608 from dkoes/obrmsfix	Geoff Hutchison	More...				about 1 year ago
Merge pull request #2634 from timvdm/bugfixes	Geoff Hutchison	More...				about 1 year ago
Merge branch 'master' of https://github.com/openbabel/openbabel	Tim Vandermeersch	More...				about 1 year ago
Fix bug in distance geometry code	Tim Vandermeersch	More...				about 1 year ago
Merge pull request #2629 from ghutchis/dont-wrap-cif-coordinates	Geoff Hutchison	More...				over 1 year ago
By default do not wrap atomic coordinates to the unit cell	Geoff Hutchison	More...				over 1 year ago
More python2 test changes for macos	David Koes	More...				over 1 year ago
Old style formatting	David Koes	More...				over 1 year ago
Use old style string formating for MacOS	David Koes	More...				over 1 year ago
Merge pull request #2601 from flatstik/flatstik-patch-1	Geoff Hutchison	More...				over 1 year ago
Merge pull request #2563 from e-kwsm/vaspformat	Geoff Hutchison	More...				over 1 year ago

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