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Docker Image Build and Push Docker Image Build and Push #528: Scheduled
1h 3m 0s main
main
1h 3m 0s
Fixes the atom mapper placing hydrogens on the wrong heavy atom (issu… Docker Image Build and Push #527: Commit 484c678 pushed by calvinp0
1h 13m 53s main
main
1h 13m 53s
Fix Gaussian 1D scan angles losing direction and gaining a spurious 3… Docker Image Build and Push #526: Commit 4d67ad4 pushed by calvinp0
1h 4m 22s main
main
1h 4m 22s
Return every atom map per reaction and cluster them into distinct rea… Docker Image Build and Push #525: Commit a24e13b pushed by calvinp0
1h 2m 13s main
main
1h 2m 13s
Bump the core-actions group across 1 directory with 3 updates Docker Image Build and Push #524: Pull request #923 synchronize by dependabot Bot
1h 8m 51s dependabot/github_actions/core-actions-e8d9354a94
dependabot/github_actions/core-actions-e8d9354a94
1h 8m 51s
fix(orca): implement NMD parsing, guard trsh against None (#1026) Docker Image Build and Push #523: Commit 54d7e8e pushed by Mia1Gohary
1h 45m 6s main
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1h 45m 6s
Docker Image Build and Push Docker Image Build and Push #522: Scheduled
1h 4m 55s main
main
1h 4m 55s
Fix rmg_env_command dropping PYTHONPATH needed for source-tree RMG-Py… Docker Image Build and Push #521: Commit c5e700b pushed by calvinp0
1h 2m 3s main
main
1h 2m 3s
Make the RMG family set configurable via settings, resolved in get_al… Docker Image Build and Push #520: Commit 8317303 pushed by kfir4444
2h 11m 5s main
main
2h 11m 5s
Seed the flipped reaction with a family so the reverse-discovery retr… Docker Image Build and Push #519: Commit bfc5260 pushed by calvinp0
1h 3m 24s main
main
1h 3m 24s
Make remote submission over SSH work, from the host and from the cont… Docker Image Build and Push #518: Commit b5fc24a pushed by alongd
1h 2m 15s main
main
1h 2m 15s
Make remote submission over SSH work, from the host and from the container Docker Image Build and Push #517: Pull request #1001 synchronize by calvinp0
14m 45s fix_remote_job_lifecycle
fix_remote_job_lifecycle
14m 45s
Docker Image Build and Push Docker Image Build and Push #516: Scheduled
1h 4m 40s main
main
1h 4m 40s
Make remote submission over SSH work, from the host and from the container Docker Image Build and Push #515: Pull request #1001 synchronize by calvinp0
1h 38m 14s fix_remote_job_lifecycle
fix_remote_job_lifecycle
1h 38m 14s
Make remote submission over SSH work, from the host and from the container Docker Image Build and Push #514: Pull request #1001 synchronize by calvinp0
1h 1m 16s fix_remote_job_lifecycle
fix_remote_job_lifecycle
1h 1m 16s
Make remote submission over SSH work, from the host and from the container Docker Image Build and Push #513: Pull request #1001 synchronize by calvinp0
1h 7m 34s fix_remote_job_lifecycle
fix_remote_job_lifecycle
1h 7m 34s
Docker: pin Julia to 1.10.11, unbreaking the image build Docker Image Build and Push #512: Pull request #1031 opened by alongd
1h 12m 33s docker_pin_julia_1_10_11
docker_pin_julia_1_10_11
1h 12m 33s
Bump the core-actions group across 1 directory with 3 updates Docker Image Build and Push #511: Pull request #923 synchronize by dependabot Bot
13m 53s dependabot/github_actions/core-actions-e8d9354a94
dependabot/github_actions/core-actions-e8d9354a94
13m 53s
Make remote submission over SSH work, from the host and from the container Docker Image Build and Push #510: Pull request #1001 synchronize by calvinp0
1h 28m 43s fix_remote_job_lifecycle
fix_remote_job_lifecycle
1h 28m 43s
Work around a Cython comparison miscompilation in GroupBond._change_b… Docker Image Build and Push #509: Commit f45edb0 pushed by kfir4444
44m 18s main
main
44m 18s
Add a rotor_scan_resolution input key (#1019) Docker Image Build and Push #508: Commit bcc29fd pushed by alongd
1h 10m 41s main
main
1h 10m 41s
fix(species): coerce and validate ARCSpecies.run_time at the construc… Docker Image Build and Push #507: Commit afc3151 pushed by LeenFahoum
14m 33s main
main
14m 33s
Add a one-process relaxed rotor scan to the ASE adapter (#1018) Docker Image Build and Push #506: Commit 7d3d317 pushed by alongd
2h 18m 1s main
main
2h 18m 1s
Displace the TS along the normal mode in Cartesian, not mass-weighted… Docker Image Build and Push #505: Commit 7e6d7e3 pushed by alongd
15m 54s main
main
15m 54s
fix(statmech): declare reaction species in the Arkane kinetics input … Docker Image Build and Push #504: Commit 005f19d pushed by calvinp0
13m 55s main
main
13m 55s