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deploy: 791dde0

github-actions[bot]pushed 1 commit to gh-pages • cf0240d…9727d0e • 
6 days ago

Merge pull request #63 from molssi-seamm/dev

Pull request merge
seammpushed 3 commits to main • f7c5015…791dde0 • 
6 days ago

Excluding recent bad version of sqlite

paulsaxepushed 1 commit to dev • 9140acc…27f0a6b • 
6 days ago

Improved handling of system names in SDF files

paulsaxepushed 2 commits to dev • 37e23ff…9140acc • 
6 days ago

deploy: f7c5015

github-actions[bot]pushed 1 commit to gh-pages • 0a8dd0e…cf0240d • 
on Jan 15

Merge pull request #62 from molssi-seamm/dev

Pull request merge
seammpushed 2 commits to main • c332412…f7c5015 • 
on Jan 15

Added ability to write using an arbitrary list of structures.

paulsaxepushed 2 commits to dev • ad8dadc…37e23ff • 
on Jan 15

deploy: c332412

github-actions[bot]pushed 1 commit to gh-pages • 79c448d…0a8dd0e • 
on Jan 3

Merge pull request #61 from molssi-seamm/dev

Pull request merge
seammpushed 2 commits to main • 436e7e1…c332412 • 
on Jan 3

Bugfix: Issue with reading XYZ files

paulsaxepushed 2 commits to dev • 9fb64c0…ad8dadc • 
on Jan 3

deploy: 436e7e1

github-actions[bot]pushed 1 commit to gh-pages • f966f94…79c448d • 
on Jan 3

Merge pull request #60 from molssi-seamm/dev

Pull request merge
seammpushed 2 commits to main • 86d17ff…436e7e1 • 
on Jan 3

Enhancements to SDF and XYZ files

paulsaxepushed 2 commits to dev • f1e00b1…9fb64c0 • 
on Jan 3

deploy: 86d17ff

github-actions[bot]pushed 1 commit to gh-pages • 602721a…f966f94 • 
on Dec 29, 2024

Merge pull request #59 from molssi-seamm/dev

Pull request merge
seammpushed 2 commits to main • 49752cb…86d17ff • 
on Dec 29, 2024

Bugfix: Issue with reusing systems matching SDF files.

paulsaxepushed 2 commits to dev • 6dc06ab…f1e00b1 • 
on Dec 29, 2024

deploy: 49752cb

github-actions[bot]pushed 1 commit to gh-pages • e5fca8f…602721a • 
on Dec 7, 2024

Merge pull request #58 from molssi-seamm/dev

Pull request merge
seammpushed 2 commits to main • a7189d4…49752cb • 
on Dec 7, 2024

Minor update due to changes in molsystem

paulsaxepushed 2 commits to dev • b8471e7…6dc06ab • 
on Dec 7, 2024

deploy: a7189d4

github-actions[bot]pushed 1 commit to gh-pages • 08e2961…e5fca8f • 
on Nov 29, 2024

Merge pull request #57 from molssi-seamm/dev

Pull request merge
seammpushed 2 commits to main • 7f86bc5…a7189d4 • 
on Nov 29, 2024

Added chemical formula as option for system/configuration names

paulsaxepushed 2 commits to dev • c19ac93…b8471e7 • 
on Nov 29, 2024

deploy: 7f86bc5

github-actions[bot]pushed 1 commit to gh-pages • e88234b…08e2961 • 
on Nov 13, 2024

Merge pull request #56 from molssi-seamm/dev

Pull request merge
seammpushed 2 commits to main • 10b4cca…7f86bc5 • 
on Nov 13, 2024

Bugfix: Issues with the names of properties

paulsaxepushed 2 commits to dev • 3b9d6b5…c19ac93 • 
on Nov 13, 2024

deploy: 10b4cca

github-actions[bot]pushed 1 commit to gh-pages • 88e4937…e88234b • 
on Nov 3, 2024

Merge pull request #55 from molssi-seamm/dev

Pull request merge
seammpushed 2 commits to main • ef60e68…10b4cca • 
on Nov 3, 2024

Bugfix: MOPAC files with references in comments

paulsaxepushed 2 commits to dev • 47eb2ae…3b9d6b5 • 
on Nov 3, 2024

deploy: ef60e68

github-actions[bot]pushed 1 commit to gh-pages • 6ebb40c…88e4937 • 
on Aug 23, 2024

Merge pull request #54 from molssi-seamm/dev

Pull request merge
seammpushed 2 commits to main • 889278a…ef60e68 • 
on Aug 23, 2024