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Removed Sella test due to package instability CodeQL #967: Pull request #747 opened by alongd
June 20, 2024 12:50 3m 34s xtb_test
xtb_test
June 20, 2024 12:50 3m 34s
Modified MRCI implementation in Molpro and Orca adapters CodeQL #966: Pull request #746 opened by alongd
June 20, 2024 12:32 3m 15s mrci
mrci
June 20, 2024 12:32 3m 15s
Use the WELL_GAP constant in conformers CodeQL #965: Pull request #745 opened by alongd
June 20, 2024 07:58 3m 7s conf_well_gap
conf_well_gap
June 20, 2024 07:58 3m 7s
CodeQL CodeQL #964: Scheduled
June 17, 2024 20:48 3m 52s main
main
June 17, 2024 20:48 3m 52s
Don't execute jobs on a server if the maximum job limit has been reached CodeQL #963: Pull request #744 opened by alongd
June 17, 2024 20:23 3m 52s max_jobs
max_jobs
June 17, 2024 20:23 3m 52s
CodeQL CodeQL #962: Scheduled
June 10, 2024 20:48 3m 53s main
main
June 10, 2024 20:48 3m 53s
CodeQL CodeQL #961: Scheduled
June 3, 2024 20:48 3m 19s main
main
June 3, 2024 20:48 3m 19s
Added a Linear TS search job adapter CodeQL #960: Pull request #695 synchronize by alongd
May 28, 2024 05:22 3m 47s linear_ts
linear_ts
May 28, 2024 05:22 3m 47s
CodeQL CodeQL #959: Scheduled
May 27, 2024 20:48 3m 47s main
main
May 27, 2024 20:48 3m 47s
Report energy in conformers_before_optimization.txt CodeQL #958: Pull request #743 synchronize by JintaoWu98
May 26, 2024 00:14 3m 40s conf_before_opt
conf_before_opt
May 26, 2024 00:14 3m 40s
Report energy in conformers_before_optimization.txt CodeQL #957: Pull request #743 synchronize by JintaoWu98
May 25, 2024 12:01 3m 51s conf_before_opt
conf_before_opt
May 25, 2024 12:01 3m 51s
Report energy in conformers_before_optimization.txt CodeQL #956: Pull request #743 synchronize by JintaoWu98
May 25, 2024 12:01 3m 38s conf_before_opt
conf_before_opt
May 25, 2024 12:01 3m 38s
Report energy in conformers_before_optimization.txt CodeQL #955: Pull request #743 synchronize by JintaoWu98
May 25, 2024 10:43 3m 47s conf_before_opt
conf_before_opt
May 25, 2024 10:43 3m 47s
Report energy in conformers_before_optimization.txt CodeQL #954: Pull request #743 synchronize by JintaoWu98
May 25, 2024 09:32 3m 46s conf_before_opt
conf_before_opt
May 25, 2024 09:32 3m 46s
Report energy in conformers_before_optimization.txt CodeQL #953: Pull request #743 synchronize by JintaoWu98
May 25, 2024 09:28 3m 39s conf_before_opt
conf_before_opt
May 25, 2024 09:28 3m 39s
Report energy in conformers_before_optimization.txt CodeQL #952: Pull request #743 synchronize by JintaoWu98
May 25, 2024 08:18 3m 46s conf_before_opt
conf_before_opt
May 25, 2024 08:18 3m 46s
Report energy in conformers_before_optimization.txt CodeQL #951: Pull request #743 synchronize by JintaoWu98
May 25, 2024 00:23 3m 38s conf_before_opt
conf_before_opt
May 25, 2024 00:23 3m 38s
Report energy in conformers_before_optimization.txt CodeQL #950: Pull request #743 synchronize by JintaoWu98
May 24, 2024 01:13 3m 44s conf_before_opt
conf_before_opt
May 24, 2024 01:13 3m 44s
Report energy in conformers_before_optimization.txt CodeQL #949: Pull request #743 synchronize by JintaoWu98
May 22, 2024 01:32 3m 45s conf_before_opt
conf_before_opt
May 22, 2024 01:32 3m 45s
Report energy in conformers_before_optimization.txt CodeQL #948: Pull request #743 synchronize by JintaoWu98
May 22, 2024 00:41 3m 40s conf_before_opt
conf_before_opt
May 22, 2024 00:41 3m 40s
Report energy in conformers_before_optimization.txt CodeQL #947: Pull request #743 opened by JintaoWu98
May 21, 2024 05:29 3m 48s conf_before_opt
conf_before_opt
May 21, 2024 05:29 3m 48s
CodeQL CodeQL #946: Scheduled
May 20, 2024 20:48 3m 52s main
main
May 20, 2024 20:48 3m 52s
Added a Linear TS search job adapter CodeQL #945: Pull request #695 synchronize by alongd
May 15, 2024 07:02 3m 51s linear_ts
linear_ts
May 15, 2024 07:02 3m 51s
Added a Linear TS search job adapter CodeQL #944: Pull request #695 synchronize by alongd
May 15, 2024 06:11 3m 46s linear_ts
linear_ts
May 15, 2024 06:11 3m 46s
Added a Linear TS search job adapter CodeQL #943: Pull request #695 synchronize by alongd
May 15, 2024 06:09 3m 40s linear_ts
linear_ts
May 15, 2024 06:09 3m 40s