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define i and job for sp case CI #5986: Commit 3bacc19 pushed by JintaoWu98
September 27, 2024 07:44 6h 0m 23s conf_opt_level_local3
conf_opt_level_local3
September 27, 2024 07:44 6h 0m 23s
terminate jobs CI #5985: Commit e44ed4d pushed by JintaoWu98
September 27, 2024 07:44 6h 0m 22s conf_opt_level_local3
conf_opt_level_local3
September 27, 2024 07:44 6h 0m 22s
run sp job CI #5984: Commit fe00fc7 pushed by JintaoWu98
September 27, 2024 07:32 6h 0m 22s conf_opt_level_local3
conf_opt_level_local3
September 27, 2024 07:32 6h 0m 22s
i is None if block CI #5983: Commit 0e6c5c2 pushed by JintaoWu98
September 27, 2024 07:31 6h 0m 22s conf_opt_level_local3
conf_opt_level_local3
September 27, 2024 07:31 6h 0m 22s
Define conformer_jobs_done CI #5982: Commit b45d1b0 pushed by JintaoWu98
September 27, 2024 07:07 6h 0m 23s conf_opt_level_local3
conf_opt_level_local3
September 27, 2024 07:07 6h 0m 23s
scheduler.save_conformers_file CI #5981: Commit f807994 pushed by JintaoWu98
September 27, 2024 06:51 1h 51m 46s conf_opt_level_local3
conf_opt_level_local3
September 27, 2024 06:51 1h 51m 46s
plotter.py CI #5980: Commit 841ec2d pushed by JintaoWu98
September 27, 2024 04:53 1h 53m 49s conf_opt_level_local3
conf_opt_level_local3
September 27, 2024 04:53 1h 53m 49s
f! or mistake CI #5979: Commit 2521cdb pushed by JintaoWu98
September 27, 2024 02:50 6h 0m 23s conf_opt_level_local2
conf_opt_level_local2
September 27, 2024 02:50 6h 0m 23s
setting changes CI #5978: Commit 7f5e830 pushed by JintaoWu98
September 27, 2024 01:41 19m 2s conf_opt_level_local2
conf_opt_level_local2
September 27, 2024 01:41 19m 2s
f! CI #5977: Commit 7dedbe6 pushed by JintaoWu98
September 27, 2024 01:21 6h 0m 24s conf_opt_level_local2
conf_opt_level_local2
September 27, 2024 01:21 6h 0m 24s
CI CI #5976: Scheduled
September 27, 2024 01:04 1h 53m 45s main
main
September 27, 2024 01:04 1h 53m 45s
f! CI #5975: Commit 505c609 pushed by JintaoWu98
September 27, 2024 00:59 6h 0m 22s conf_opt_level_local2
conf_opt_level_local2
September 27, 2024 00:59 6h 0m 22s
Run sp job after conformer job CI #5974: Commit 0717a00 pushed by JintaoWu98
September 26, 2024 22:32 6h 0m 23s conf_opt_level_local2
conf_opt_level_local2
September 26, 2024 22:32 6h 0m 23s
Define input file path CI #5973: Commit f99e4e2 pushed by JintaoWu98
September 26, 2024 22:31 1h 51m 16s conf_opt_level_local2
conf_opt_level_local2
September 26, 2024 22:31 1h 51m 16s
Define conformer_sp_level CI #5972: Commit 352631f pushed by JintaoWu98
September 26, 2024 22:25 1h 56m 28s conf_opt_level_local2
conf_opt_level_local2
September 26, 2024 22:25 1h 56m 28s
Updates CI #5971: Commit 7a69a37 pushed by calvinp0
September 26, 2024 21:25 1h 42m 52s crest
crest
September 26, 2024 21:25 1h 42m 52s
Crest Temporary Work CI #5970: Commit a0e38f4 pushed by calvinp0
September 26, 2024 15:53 1h 47m 24s crest
crest
September 26, 2024 15:53 1h 47m 24s
Change conformer_level to conformer_opt_level CI #5969: Commit 0e64c33 pushed by JintaoWu98
September 26, 2024 13:12 1h 50m 32s conf_opt_level_local2
conf_opt_level_local2
September 26, 2024 13:12 1h 50m 32s
define set_rdkit_ring_dihedrals CI #5968: Commit eb499bf pushed by JintaoWu98
September 26, 2024 10:25 1h 53m 8s ring_transform
ring_transform
September 26, 2024 10:25 1h 53m 8s
Formatting CI #5967: Commit 0577e94 pushed by JintaoWu98
September 26, 2024 06:27 6h 0m 23s conf_opt_level_local2
conf_opt_level_local2
September 26, 2024 06:27 6h 0m 23s
Define conformer single point calculation after optimization CodeQL #1140: Pull request #766 synchronize by JintaoWu98
September 26, 2024 04:17 3m 12s conf_opt_level
conf_opt_level
September 26, 2024 04:17 3m 12s
Define conformer single point calculation after optimization Labeler #1502: Pull request #766 synchronize by JintaoWu98
September 26, 2024 04:17 11s conf_opt_level
conf_opt_level
September 26, 2024 04:17 11s
Define conformer single point calculation after optimization CI #5966: Pull request #766 synchronize by JintaoWu98
September 26, 2024 04:17 6h 0m 23s conf_opt_level
conf_opt_level
September 26, 2024 04:17 6h 0m 23s
Formatting CI #5965: Commit 0577e94 pushed by JintaoWu98
September 26, 2024 04:17 19m 57s conf_opt_level
conf_opt_level
September 26, 2024 04:17 19m 57s
CI CI #5964: Scheduled
September 26, 2024 01:04 1h 53m 28s main
main
September 26, 2024 01:04 1h 53m 28s