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chore(main): release 6.7.0
test latest release #129: Pull request #433 labeled by jmbuhr
May 20, 2024 13:52 4m 15s release-please--branches--main
May 20, 2024 13:52 4m 15s
feat: pass slurm options via kimmdy.yml config
test latest release #128: Pull request #432 labeled by jmbuhr
May 20, 2024 13:37 2s feat/slurm-options-config
May 20, 2024 13:37 2s
chore(main): release 6.6.0
test latest release #127: Pull request #423 labeled by jmbuhr
April 25, 2024 10:04 4m 16s release-please--branches--main
April 25, 2024 10:04 4m 16s
Expose grappa model and charge type
test latest release #126: Pull request #430 labeled by ehhartmann
April 25, 2024 09:55 3s feat/expose_grappa_model
April 25, 2024 09:55 3s
docs: how_to page for analysis
test latest release #125: Pull request #424 labeled by KRiedmiller
April 12, 2024 15:12 3s docs/analysis
April 12, 2024 15:12 3s
docs: how_to page for analysis
test latest release #124: Pull request #424 labeled by KRiedmiller
April 12, 2024 15:12 3s docs/analysis
April 12, 2024 15:12 3s
chore(main): release 6.5.0
test latest release #123: Pull request #418 labeled by ehhartmann
March 25, 2024 16:56 4m 13s release-please--branches--main
March 25, 2024 16:56 4m 13s
chore(main): release 6.5.0
test latest release #122: Pull request #418 labeled by jmbuhr
March 25, 2024 14:51 2m 46s release-please--branches--main
March 25, 2024 14:51 2m 46s
chore(main): release 6.4.1
test latest release #121: Pull request #411 labeled by KRiedmiller
March 22, 2024 13:11 4m 55s release-please--branches--main
March 22, 2024 13:11 4m 55s
chore(main): release 6.4.1
test latest release #120: Pull request #411 labeled by KRiedmiller
March 22, 2024 13:05 4m 36s release-please--branches--main
March 22, 2024 13:05 4m 36s
chore(main): release 6.4.1
test latest release #119: Pull request #411 labeled by KRiedmiller
March 22, 2024 13:05 2s release-please--branches--main
March 22, 2024 13:05 2s
fix: don't discover stepXX.pdb's gromacs produces sometimes
test latest release #118: Pull request #414 labeled by KRiedmiller
March 19, 2024 10:42 3s fix/ignore_step_pdbs
March 19, 2024 10:42 3s
fix: don't discover stepXX.pdb's gromacs produces sometimes
test latest release #117: Pull request #414 labeled by KRiedmiller
March 19, 2024 10:42 2s fix/ignore_step_pdbs
March 19, 2024 10:42 2s
Analysis fixes
test latest release #116: Pull request #413 labeled by ehhartmann
March 19, 2024 10:12 2s analysis_fixes
March 19, 2024 10:12 2s
feat: add focus to grappa parameterizer
test latest release #115: Pull request #408 labeled by ehhartmann
March 7, 2024 13:28 2s feat/grappa_focus
March 7, 2024 13:28 2s
feat: add focus to grappa parameterizer
test latest release #114: Pull request #408 labeled by ehhartmann
March 7, 2024 13:28 2s feat/grappa_focus
March 7, 2024 13:28 2s
chore(main): release 6.3.0
test latest release #113: Pull request #397 labeled by jmbuhr
March 7, 2024 08:03 4m 54s release-please--branches--main
March 7, 2024 08:03 4m 54s
feat: add focus to grappa parameterizer
test latest release #112: Pull request #408 labeled by ehhartmann
March 6, 2024 16:14 3s feat/grappa_focus
March 6, 2024 16:14 3s
feat: add focus to grappa parameterizer
test latest release #111: Pull request #408 labeled by ehhartmann
March 6, 2024 16:14 2s feat/grappa_focus
March 6, 2024 16:14 2s
fix: squiggly lines begone
test latest release #110: Pull request #399 labeled by jmbuhr
March 6, 2024 15:45 2s refactor/minor-typing-cleanup
March 6, 2024 15:45 2s
feat: allow customizing trjconv output group
test latest release #109: Pull request #396 labeled by jmbuhr
March 1, 2024 13:54 3s fix/concat-traj
March 1, 2024 13:54 3s
chore(main): release 6.3.0
test latest release #108: Pull request #397 labeled by ehhartmann
March 1, 2024 13:21 4m 54s release-please--branches--main
March 1, 2024 13:21 4m 54s
Fix/colbuilder tut
test latest release #107: Pull request #394 labeled by ehhartmann
February 28, 2024 14:12 3s fix/colbuilder_tut
February 28, 2024 14:12 3s
chore(main): release 6.2.5
test latest release #106: Pull request #393 labeled by jmbuhr
February 27, 2024 19:27 5m 9s release-please--branches--main
February 27, 2024 19:27 5m 9s
fix: commit renderd docs
test latest release #105: Pull request #391 labeled by jmbuhr
February 27, 2024 15:26 2s ci/fix-doc-commit
February 27, 2024 15:26 2s