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Dockerfile (#710)
CI #4460: Commit d756403 pushed by alongd
November 2, 2023 19:37 1h 50m 34s main
November 2, 2023 19:37 1h 50m 34s
Added run_multi_spiecies to job adapters
CI #4459: Commit 1c41061 pushed by alongd
November 2, 2023 13:16 29m 53s multi_species
November 2, 2023 13:16 29m 53s
CI
CI #4458: Scheduled
November 2, 2023 00:49 1h 13m 24s main
November 2, 2023 00:49 1h 13m 24s
Dockerfile
CI #4457: Pull request #710 review_requested by calvinp0
November 1, 2023 20:57 1h 33m 2s docker
November 1, 2023 20:57 1h 33m 2s
Dockerfile
CI #4456: Pull request #710 opened by calvinp0
November 1, 2023 20:55 1h 31m 26s docker
November 1, 2023 20:55 1h 31m 26s
A CI for running Dockerfile
CI #4455: Commit f261606 pushed by calvinp0
November 1, 2023 20:49 1h 8m 7s docker
November 1, 2023 20:49 1h 8m 7s
Added a multispecies attribute to Species
CI #4454: Commit 96d5f67 pushed by alongd
November 1, 2023 12:59 1h 54m 29s multi_species
November 1, 2023 12:59 1h 54m 29s
CI
CI #4453: Scheduled
November 1, 2023 00:52 1h 43m 34s main
November 1, 2023 00:52 1h 43m 34s
CI
CI #4452: Scheduled
October 31, 2023 00:49 1h 29m 6s main
October 31, 2023 00:49 1h 29m 6s
Orca 5 sol (#709)
CI #4451: Commit bdaa2a3 pushed by alongd
October 30, 2023 19:41 1h 33m 44s main
October 30, 2023 19:41 1h 33m 44s
CI
CI #4450: Scheduled
October 30, 2023 00:49 1h 48m 23s main
October 30, 2023 00:49 1h 48m 23s
CI
CI #4449: Scheduled
October 29, 2023 00:51 1h 33m 6s main
October 29, 2023 00:51 1h 33m 6s
CI
CI #4448: Scheduled
October 28, 2023 00:46 1h 32m 28s main
October 28, 2023 00:46 1h 32m 28s
CI
CI #4447: Scheduled
October 27, 2023 00:47 1h 32m 37s main
October 27, 2023 00:47 1h 32m 37s
CI
CI #4446: Scheduled
October 26, 2023 00:47 1h 52m 36s main
October 26, 2023 00:47 1h 52m 36s
Orca 5 sol
CI #4445: Pull request #709 opened by Lilachn91
October 25, 2023 15:25 1h 49m 10s orca_5_sol
October 25, 2023 15:25 1h 49m 10s
Orca 5 sol
CI #4444: Pull request #709 review_requested by Lilachn91
October 25, 2023 15:25 1h 45m 10s orca_5_sol
October 25, 2023 15:25 1h 45m 10s
Fixed error message for rate calculation when sp file is missing
CI #4443: Commit b895514 pushed by Lilachn91
October 25, 2023 15:19 1h 50m 31s orca_5_sol
October 25, 2023 15:19 1h 50m 31s
Fixed error message for rate calculation when sp file is missing
CI #4442: Commit a8c5aad pushed by Lilachn91
October 25, 2023 12:18 1h 47m 58s orca_4_sol
October 25, 2023 12:18 1h 47m 58s
Added solvation option to Orca job adapter
CI #4441: Pull request #666 synchronize by Lilachn91
October 25, 2023 11:38 1h 47m 2s orca_sol
October 25, 2023 11:38 1h 47m 2s
October 25, 2023 11:38 1h 34m 5s
CI
CI #4439: Scheduled
October 25, 2023 00:48 1h 44m 21s main
October 25, 2023 00:48 1h 44m 21s
CI
CI #4438: Scheduled
October 24, 2023 00:48 1h 44m 53s main
October 24, 2023 00:48 1h 44m 53s
Report electronic energy in an output file (#708)
CI #4437: Commit 6b51ce5 pushed by alongd
October 23, 2023 18:54 2h 4m 7s main
October 23, 2023 18:54 2h 4m 7s
Report electronic energy in an output file
CI #4436: Pull request #708 review_requested by JintaoWu98
October 23, 2023 13:14 1h 55m 54s report_e_elect
October 23, 2023 13:14 1h 55m 54s
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