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Create .readthedocs.yaml
Tests with Conda #368: Commit 73912c9 pushed by leeping
January 30, 2025 19:56 9m 24s master
January 30, 2025 19:56 9m 24s
Tests with Conda
Tests with Conda #367: Scheduled
January 25, 2025 21:37 9m 8s master
January 25, 2025 21:37 9m 8s
Update version number to v1.1
Tests with Conda #366: Commit 53cdef6 pushed by leeping
January 24, 2025 21:22 9m 5s master
January 24, 2025 21:22 9m 5s
Merge pull request #217 from leeping/pre1.1_tests_working
Tests with Conda #365: Commit b29b198 pushed by leeping
January 24, 2025 21:20 9m 11s master
January 24, 2025 21:20 9m 11s
All tests pass for v1.1 release
Tests with Conda #364: Pull request #217 synchronize by leeping
January 24, 2025 21:20 9m 25s pre1.1_tests_working
January 24, 2025 21:20 9m 25s
All tests pass for v1.1 release
Tests with Conda #363: Pull request #217 opened by leeping
January 24, 2025 08:51 9m 34s pre1.1_tests_working
January 24, 2025 08:51 9m 34s
Merge pull request #216 from hjnpark/master
Tests with Conda #362: Commit ea7b172 pushed by leeping
January 24, 2025 07:27 9m 16s master
January 24, 2025 07:27 9m 16s
minor changes in neb.py, params.py, README.md. Documentation is updated.
Tests with Conda #361: Pull request #216 synchronize by hjnpark
January 20, 2025 02:51 9m 17s hjnpark:master
January 20, 2025 02:51 9m 17s
minor changes in neb.py, params.py, README.md. Documentation is updated.
Tests with Conda #360: Pull request #216 opened by hjnpark
January 19, 2025 04:34 9m 13s hjnpark:master
January 19, 2025 04:34 9m 13s
Tests with Conda
Tests with Conda #359: Scheduled
January 18, 2025 21:37 9m 13s master
January 18, 2025 21:37 9m 13s
When Cartesian coordinate is used, primitive ICs won't be built
Tests with Conda #358: Pull request #211 synchronize by hjnpark
January 17, 2025 21:59 9m 23s hjnpark:noprim
January 17, 2025 21:59 9m 23s
BAGEL engine with support for CASPT2
Tests with Conda #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 Conda #356: Commit 67c61d3 pushed by leeping
January 17, 2025 03:49 9m 14s master
January 17, 2025 03:49 9m 14s
All tests are passing except terachem/qmmm
Tests with Conda #355: Pull request #214 opened by hjnpark
January 14, 2025 22:13 9m 15s hjnpark:master
January 14, 2025 22:13 9m 15s
Tests with Conda
Tests with Conda #354: Scheduled
January 11, 2025 21:37 9m 51s master
January 11, 2025 21:37 9m 51s
Tests with Conda
Tests with Conda #353: Scheduled
January 4, 2025 21:38 10m 33s master
January 4, 2025 21:38 10m 33s
Add Callback to NEB Code
Tests with Conda #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 Conda #351: Commit 3572dc8 pushed by leeping
January 3, 2025 00:52 9m 47s master
January 3, 2025 00:52 9m 47s
Merge pull request #201 from hjnpark/doc
Tests with Conda #350: Commit 345d921 pushed by hjnpark
January 3, 2025 00:48 9m 48s master
January 3, 2025 00:48 9m 48s
When Cartesian coordinate is used, primitive ICs won't be built
Tests with Conda #348: Pull request #211 opened by hjnpark
December 30, 2024 03:13 9m 57s hjnpark:noprim
December 30, 2024 03:13 9m 57s
Tests with Conda
Tests with Conda #347: Scheduled
December 28, 2024 21:37 9m 55s master
December 28, 2024 21:37 9m 55s
Tests with Conda
Tests with Conda #346: Scheduled
December 21, 2024 21:37 9m 49s master
December 21, 2024 21:37 9m 49s
Tests with Conda
Tests with Conda #345: Scheduled
December 14, 2024 21:37 9m 43s master
December 14, 2024 21:37 9m 43s
Tests with Conda
Tests with Conda #344: Scheduled
December 7, 2024 21:37 9m 51s master
December 7, 2024 21:37 9m 51s
Tests with Conda
Tests with Conda #343: Scheduled
November 30, 2024 21:37 9m 50s master
November 30, 2024 21:37 9m 50s