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Create .readthedocs.yaml
Tests with Pip #368: Commit 73912c9 pushed by leeping
January 30, 2025 19:56 28s master
January 30, 2025 19:56 28s
Tests with Pip
Tests with Pip #367: Scheduled
January 25, 2025 21:37 30s master
January 25, 2025 21:37 30s
Update version number to v1.1
Tests with Pip #366: Commit 53cdef6 pushed by leeping
January 24, 2025 21:22 29s master
January 24, 2025 21:22 29s
Merge pull request #217 from leeping/pre1.1_tests_working
Tests with Pip #365: Commit b29b198 pushed by leeping
January 24, 2025 21:20 25s master
January 24, 2025 21:20 25s
All tests pass for v1.1 release
Tests with Pip #364: Pull request #217 synchronize by leeping
January 24, 2025 21:20 27s pre1.1_tests_working
January 24, 2025 21:20 27s
All tests pass for v1.1 release
Tests with Pip #363: Pull request #217 opened by leeping
January 24, 2025 08:51 26s pre1.1_tests_working
January 24, 2025 08:51 26s
Merge pull request #216 from hjnpark/master
Tests with Pip #362: Commit ea7b172 pushed by leeping
January 24, 2025 07:27 27s master
January 24, 2025 07:27 27s
minor changes in neb.py, params.py, README.md. Documentation is updated.
Tests with Pip #361: Pull request #216 synchronize by hjnpark
January 20, 2025 02:51 29s hjnpark:master
January 20, 2025 02:51 29s
minor changes in neb.py, params.py, README.md. Documentation is updated.
Tests with Pip #360: Pull request #216 opened by hjnpark
January 19, 2025 04:34 28s hjnpark:master
January 19, 2025 04:34 28s
Tests with Pip
Tests with Pip #359: Scheduled
January 18, 2025 21:37 27s master
January 18, 2025 21:37 27s
When Cartesian coordinate is used, primitive ICs won't be built
Tests with Pip #358: Pull request #211 synchronize by hjnpark
January 17, 2025 21:59 29s hjnpark:noprim
January 17, 2025 21:59 29s
BAGEL engine with support for CASPT2
Tests with Pip #357: Pull request #215 opened by xmiaocat
January 17, 2025 11:17 Action required xmiaocat:master
January 17, 2025 11:17 Action required
Merge pull request #214 from hjnpark/master
Tests with Pip #356: Commit 67c61d3 pushed by leeping
January 17, 2025 03:49 28s master
January 17, 2025 03:49 28s
All tests are passing except terachem/qmmm
Tests with Pip #355: Pull request #214 opened by hjnpark
January 14, 2025 22:13 33s hjnpark:master
January 14, 2025 22:13 33s
Tests with Pip
Tests with Pip #354: Scheduled
January 11, 2025 21:37 4m 23s master
January 11, 2025 21:37 4m 23s
Tests with Pip
Tests with Pip #353: Scheduled
January 4, 2025 21:38 2m 55s master
January 4, 2025 21:38 2m 55s
Add Callback to NEB Code
Tests with Pip #352: Pull request #212 synchronize by corinwagen
January 3, 2025 21:55 Action required corinwagen:master
January 3, 2025 21:55 Action required
Fix PDB writing of TER record
Tests with Pip #351: Commit 3572dc8 pushed by leeping
January 3, 2025 00:52 2m 54s master
January 3, 2025 00:52 2m 54s
Merge pull request #201 from hjnpark/doc
Tests with Pip #350: Commit 345d921 pushed by hjnpark
January 3, 2025 00:48 2m 57s master
January 3, 2025 00:48 2m 57s
When Cartesian coordinate is used, primitive ICs won't be built
Tests with Pip #348: Pull request #211 opened by hjnpark
December 30, 2024 03:13 3m 3s hjnpark:noprim
December 30, 2024 03:13 3m 3s
Tests with Pip
Tests with Pip #347: Scheduled
December 28, 2024 21:37 2m 52s master
December 28, 2024 21:37 2m 52s
Tests with Pip
Tests with Pip #346: Scheduled
December 21, 2024 21:37 2m 47s master
December 21, 2024 21:37 2m 47s
Tests with Pip
Tests with Pip #345: Scheduled
December 14, 2024 21:38 5m 4s master
December 14, 2024 21:38 5m 4s
Tests with Pip
Tests with Pip #344: Scheduled
December 7, 2024 21:38 4m 52s master
December 7, 2024 21:38 4m 52s
Tests with Pip
Tests with Pip #343: Scheduled
November 30, 2024 21:37 3m 0s master
November 30, 2024 21:37 3m 0s