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Reformatted and added out/err text files for condor crest runs CI #6323: Commit 7299ad0 pushed by calvinp0
December 25, 2024 16:01 1h 54m 58s crest_debug_statement
crest_debug_statement
December 25, 2024 16:01 1h 54m 58s
Enhance GaussianAdapter to support integral algorithm in job type and… CI #6322: Commit c093709 pushed by calvinp0
December 25, 2024 10:23 1h 55m 29s crest_debug_statement
crest_debug_statement
December 25, 2024 10:23 1h 55m 29s
CI CI #6321: Scheduled
December 25, 2024 01:04 2h 6m 21s main
main
December 25, 2024 01:04 2h 6m 21s
Fix typo in warning message for TS energy check in check_rxn_e0 function CI #6320: Commit f46e696 pushed by calvinp0
December 24, 2024 11:44 1h 56m 47s crest_debug_statement
crest_debug_statement
December 24, 2024 11:44 1h 56m 47s
Set permissions of job.sh file to 777 after creation CI #6319: Commit 13a7f02 pushed by calvinp0
December 24, 2024 11:38 1h 56m 19s crest_debug_statement
crest_debug_statement
December 24, 2024 11:38 1h 56m 19s
Refactor find_crest_executable to search for executables in directori… CI #6318: Commit 3134bec pushed by calvinp0
December 24, 2024 11:32 1h 53m 57s crest_debug_statement
crest_debug_statement
December 24, 2024 11:32 1h 53m 57s
Refine version matching logic in find_crest_executable to improve acc… CI #6317: Commit ac77e51 pushed by calvinp0
December 24, 2024 11:15 1h 55m 46s crest_debug_statement
crest_debug_statement
December 24, 2024 11:15 1h 55m 46s
Add regex import to settings.py for enhanced string processing CI #6316: Commit d79fd0c pushed by calvinp0
December 24, 2024 11:10 2h 0m 55s crest_debug_statement
crest_debug_statement
December 24, 2024 11:10 2h 0m 55s
Update file cleanup logic to exclude additional job-related files CI #6315: Commit 85db8cd pushed by calvinp0
December 24, 2024 11:07 1h 54m 49s crest_debug_statement
crest_debug_statement
December 24, 2024 11:07 1h 54m 49s
CI CI #6314: Scheduled
December 24, 2024 01:05 2h 5m 58s main
main
December 24, 2024 01:05 2h 5m 58s
TMP CI #6313: Commit da39278 pushed by alongd
December 23, 2024 15:07 48m 2s reaction_fam_tmp
reaction_fam_tmp
December 23, 2024 15:07 48m 2s
Temporarily disable single-point job path determination logic due to … CI #6312: Commit c80dd2d pushed by calvinp0
December 23, 2024 10:49 1h 54m 49s crest_debug_statement
crest_debug_statement
December 23, 2024 10:49 1h 54m 49s
Update file cleanup logic to exclude additional output files and set … CI #6311: Commit 5284a70 pushed by calvinp0
December 23, 2024 10:42 1h 56m 24s crest_debug_statement
crest_debug_statement
December 23, 2024 10:42 1h 56m 24s
CI CI #6310: Scheduled
December 23, 2024 01:07 2h 6m 6s main
main
December 23, 2024 01:07 2h 6m 6s
Refactor job submission and environment setup for CREST integration CI #6309: Commit 881aa87 pushed by calvinp0
December 22, 2024 15:55 1h 55m 53s crest_debug_statement
crest_debug_statement
December 22, 2024 15:55 1h 55m 53s
Fix parameter passing CI #6308: Commit 22ffb04 pushed by calvinp0
December 22, 2024 12:37 1h 55m 16s crest_debug_statement
crest_debug_statement
December 22, 2024 12:37 1h 55m 16s
Enhance str_to_str function to support unit conversion and handle tup… CI #6307: Commit ed4b9c7 pushed by calvinp0
December 22, 2024 09:10 1h 54m 24s crest_debug_statement
crest_debug_statement
December 22, 2024 09:10 1h 54m 24s
Return xyz_guesses from process_completed_jobs function CI #6306: Commit ec38e67 pushed by calvinp0
December 22, 2024 07:44 1h 54m 10s crest_debug_statement
crest_debug_statement
December 22, 2024 07:44 1h 54m 10s
Fix argument passing in crest_ts_conformer_search for H abstraction CI #6305: Commit ba8d99f pushed by calvinp0
December 22, 2024 07:31 1h 52m 44s crest_debug_statement
crest_debug_statement
December 22, 2024 07:31 1h 52m 44s
CI CI #6304: Scheduled
December 22, 2024 01:11 2h 7m 53s main
main
December 22, 2024 01:11 2h 7m 53s
Code cleanup CI #6303: Commit 8fb0055 pushed by calvinp0
December 21, 2024 21:49 1h 55m 20s crest_debug_statement
crest_debug_statement
December 21, 2024 21:49 1h 55m 20s
Server Running CREST CI #6302: Commit 25152df pushed by calvinp0
December 21, 2024 21:01 1h 52m 45s crest_debug_statement
crest_debug_statement
December 21, 2024 21:01 1h 52m 45s
Added a module for working with RMG reaction families CI #6301: Pull request #754 synchronize by alongd
December 21, 2024 20:09 47m 7s reaction_families
reaction_families
December 21, 2024 20:09 47m 7s
TMP3 now driver CI #6300: Commit 960c507 pushed by alongd
December 21, 2024 20:09 48m 29s reaction_families
reaction_families
December 21, 2024 20:09 48m 29s
Added a module for working with RMG reaction families CI #6299: Pull request #754 synchronize by alongd
December 21, 2024 10:42 42m 47s reaction_families
reaction_families
December 21, 2024 10:42 42m 47s