Skip to content

Activity

Showing most recent first

Add readthedocs.yaml

leepingpushed 1 commit to v1.0.2 • 2963298…7a872d6 • 
on Jan 30

Create .readthedocs.yaml

leepingpushed 1 commit to master • 53cdef6…73912c9 • 
on Jan 30

Update version number to v1.1

leepingpushed 1 commit to master • b29b198…53cdef6 • 
on Jan 24

Deleted branch

leepingdeleted pre1.1_tests_working • 
on Jan 24

Merge pull request #217 from leeping/pre1.1_tests_working

Pull request merge
leepingpushed 3 commits to master • ea7b172…b29b198 • 
on Jan 24

Change WQ port numbers back to 9191

leepingpushed 1 commit to pre1.1_tests_working • daadbc8…b1a11bf • 
on Jan 24

All tests pass for v1.1 release

leepingcreated pre1.1_tests_working • daadbc8 • 
on Jan 24

Merge pull request #216 from hjnpark/master

Pull request merge
leepingpushed 3 commits to master • 67c61d3…ea7b172 • 
on Jan 24

Merge pull request #214 from hjnpark/master

Pull request merge
leepingpushed 2 commits to master • 3572dc8…67c61d3 • 
on Jan 17

Fix PDB writing of TER record

leepingpushed 1 commit to master • 345d921…3572dc8 • 
on Jan 3

Merge pull request #201 from hjnpark/doc

Pull request merge
hjnparkpushed 7 commits to master • 64808ff…345d921 • 
on Jan 3

Merge pull request #209 from hjnpark/master

Pull request merge
hjnparkpushed 4 commits to master • feab507…64808ff • 
on Nov 27, 2024

Merge pull request #199 from hjnpark/master

Pull request merge
leepingpushed 14 commits to master • 00e7722…feab507 • 
on Oct 11, 2024

Merge pull request #207 from hjnpark/irc_update

Pull request merge
leepingpushed 3 commits to master • 740fcec…00e7722 • 
on Jul 19, 2024

Add input and output files for P4 CASSCF

leepingpushed 1 commit to bagel_engine • 3731120…514df1f • 
on Jun 7, 2024

Deleted branch

leepingdeleted license-update • 
on Jun 6, 2024

Merge pull request #204 from leeping/license-update

Pull request merge
leepingpushed 2 commits to master • 8b289a0…740fcec • 
on Jun 6, 2024

BAGEL engine

leepingcreated bagel_engine • 3731120 • 
on Jun 6, 2024

Update LICENSE

leepingcreated license-update • 8cbd04a • 
on Jun 5, 2024

Deleted branch

leepingdeleted license-update • 
on Jun 5, 2024

Revert LICENSE

leepingpushed 1 commit to master • 72443c8…8b289a0 • 
on Jun 5, 2024

Update LICENSE

leepingcreated license-update • 07b9618 • 
on Jun 5, 2024

Update LICENSE

leepingpushed 1 commit to master • 95664fc…72443c8 • 
on May 15, 2024

Merge pull request #200 from hjnpark/neb

Pull request merge
leepingpushed 2 commits to master • e48365c…95664fc • 
on Apr 23, 2024

Bug fix

leepingpushed 1 commit to master • 6a152e8…e48365c • 
on Apr 11, 2024

Ensure rigid optimization works when one of the fragments is monatomi…

leepingpushed 1 commit to master • 7789a53…6a152e8 • 
on Apr 11, 2024

Merge pull request #197 from hjnpark/master

Pull request merge
leepingpushed 39 commits to master • 18626b1…7789a53 • 
on Mar 17, 2024

Deleted branch

leepingdeleted molecule_delatom • 
on Mar 14, 2024

Merge pull request #196 from leeping/molecule_delatom

Pull request merge
leepingpushed 4 commits to master • 9607497…18626b1 • 
on Mar 14, 2024

Add atom deletion test

leepingpushed 1 commit to molecule_delatom • b0b5631…e77eb4d • 
on Mar 14, 2024