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v0.28 changelog
CI #549: Pull request #422 synchronize by loriab
August 12, 2023 16:46 27m 15s loriab:changelog_28
August 12, 2023 16:46 27m 15s
Save parallel set up for MRChem in provenance (#388)
CI #548: Commit eb3366f pushed by loriab
August 12, 2023 16:38 37m 11s master
August 12, 2023 16:38 37m 11s
overhaul psi4 detection parsing
CI #547: Pull request #418 synchronize by loriab
August 12, 2023 02:13 34m 3s loriab:psifoundagain
August 12, 2023 02:13 34m 3s
SVWN reference Hessians
CI #546: Pull request #424 opened by loriab
August 11, 2023 05:18 33m 56s loriab:svwn_refs
August 11, 2023 05:18 33m 56s
v0.28 changelog
CI #545: Pull request #422 synchronize by loriab
August 10, 2023 16:06 34m 38s loriab:changelog_28
August 10, 2023 16:06 34m 38s
update gCP levels and extend D4 defaults (#393)
CI #544: Commit 8c9f0ab pushed by loriab
August 10, 2023 15:11 35m 49s master
August 10, 2023 15:11 35m 49s
update gCP levels and extend D4 defaults
CI #543: Pull request #393 synchronize by loriab
August 10, 2023 07:50 30m 42s hokru:3cupdate
August 10, 2023 07:50 30m 42s
update gCP levels and extend D4 defaults
CI #542: Pull request #393 synchronize by loriab
August 10, 2023 07:32 35m 36s hokru:3cupdate
August 10, 2023 07:32 35m 36s
update gCP levels and extend D4 defaults
CI #541: Pull request #393 synchronize by loriab
August 10, 2023 07:31 30m 6s hokru:3cupdate
August 10, 2023 07:31 30m 6s
update gCP levels and extend D4 defaults
CI #540: Pull request #393 synchronize by loriab
August 10, 2023 05:09 29m 54s hokru:3cupdate
August 10, 2023 05:09 29m 54s
update gCP levels and extend D4 defaults
CI #539: Pull request #393 synchronize by loriab
August 8, 2023 21:40 27m 22s hokru:3cupdate
August 8, 2023 21:40 27m 22s
cleanup: known test fault, codeql
CI #538: Pull request #423 opened by loriab
August 8, 2023 21:33 29m 44s loriab:codeqlfixes
August 8, 2023 21:33 29m 44s
v0.28 changelog
CI #537: Pull request #422 opened by loriab
August 8, 2023 17:19 27m 25s loriab:changelog_28
August 8, 2023 17:19 27m 25s
Fix MDI forces structure (#401)
CI #536: Commit 5935117 pushed by loriab
August 8, 2023 16:49 35m 28s master
August 8, 2023 16:49 35m 28s
overhaul psi4 detection parsing
CI #535: Pull request #418 synchronize by loriab
August 8, 2023 16:44 35m 25s loriab:psifoundagain
August 8, 2023 16:44 35m 25s
overhaul psi4 detection parsing
CI #534: Pull request #418 synchronize by loriab
August 8, 2023 16:32 34m 10s loriab:psifoundagain
August 8, 2023 16:32 34m 10s
gamess memory changes
CI #533: Pull request #421 opened by loriab
August 8, 2023 07:08 35m 7s loriab:taylor_gamess_mem
August 8, 2023 07:08 35m 7s
Fix MDI forces structure
CI #532: Pull request #401 synchronize by loriab
August 8, 2023 06:59 27m 34s taylor-a-barnes:mdi
August 8, 2023 06:59 27m 34s
defer MPI in MDI
CI #531: Pull request #420 opened by loriab
August 8, 2023 06:44 35m 0s loriab:mdimpifix
August 8, 2023 06:44 35m 0s
Add CodeQL workflow for GitHub code scanning (#386)
CI #530: Commit 034fd1a pushed by loriab
August 8, 2023 02:38 30m 32s master
August 8, 2023 02:38 30m 32s
Add CodeQL workflow for GitHub code scanning
CI #529: Pull request #386 synchronize by loriab
August 8, 2023 02:08 30m 10s lgtm-migrator:codeql
August 8, 2023 02:08 30m 10s
update badges and remove lgtm (#419)
CI #528: Commit 4648007 pushed by loriab
August 8, 2023 02:06 30m 2s master
August 8, 2023 02:06 30m 2s
update badges and remove lgtm
CI #527: Pull request #419 opened by loriab
August 8, 2023 02:00 35m 54s loriab:tidying
August 8, 2023 02:00 35m 54s
Allow specifying task config via environment and CLI (#400)
CI #526: Commit e5a43ba pushed by loriab
August 7, 2023 23:29 37m 8s master
August 7, 2023 23:29 37m 8s
Allow specifying task config via environment and CLI
CI #525: Pull request #400 synchronize by loriab
August 7, 2023 22:29 27m 33s more_task_config
August 7, 2023 22:29 27m 33s