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change default jobs_per_node and intel cpu_cnt
CI #524: Pull request #417 synchronize by loriab
August 7, 2023 21:14 17m 28s loriab:proc_n_jobs
August 7, 2023 21:14 17m 28s
overhaul psi4 detection parsing
CI #523: Pull request #418 synchronize by loriab
August 7, 2023 21:11 27m 14s loriab:psifoundagain
August 7, 2023 21:11 27m 14s
overhaul psi4 detection parsing
CI #522: Pull request #418 synchronize by loriab
August 7, 2023 20:17 27m 17s loriab:psifoundagain
August 7, 2023 20:17 27m 17s
overhaul psi4 detection parsing
CI #521: Pull request #418 opened by loriab
August 7, 2023 16:54 27m 44s loriab:psifoundagain
August 7, 2023 16:54 27m 44s
nwchem: collect scf dipole
CI #520: Pull request #413 synchronize by loriab
August 6, 2023 23:27 28m 43s loriab:nwcscfdip
August 6, 2023 23:27 28m 43s
change default jobs_per_node and intel cpu_cnt
CI #519: Pull request #417 opened by loriab
August 6, 2023 23:23 14m 42s loriab:proc_n_jobs
August 6, 2023 23:23 14m 42s
Some Turbomole fixes (#405)
CI #518: Commit d18cfda pushed by loriab
August 6, 2023 21:08 30m 12s master
August 6, 2023 21:08 30m 12s
Some Turbomole fixes
CI #517: Pull request #405 synchronize by loriab
August 6, 2023 20:27 29m 53s cvsik:tm_fixes
August 6, 2023 20:27 29m 53s
Some Turbomole fixes
CI #516: Pull request #405 synchronize by loriab
August 5, 2023 05:49 16m 19s cvsik:tm_fixes
August 5, 2023 05:49 16m 19s
FIX: berny should respect the task_config (#403)
CI #515: Commit bededd8 pushed by loriab
August 5, 2023 05:43 35m 36s master
August 5, 2023 05:43 35m 36s
FIX: berny should respect the task_config
CI #514: Pull request #403 synchronize by loriab
August 5, 2023 05:09 35m 28s q-posev:fix-berny-config
August 5, 2023 05:09 35m 28s
FIX: berny should respect the task_config
CI #513: Pull request #403 synchronize by loriab
August 4, 2023 05:13 28m 38s q-posev:fix-berny-config
August 4, 2023 05:13 28m 38s
Some Turbomole fixes
CI #512: Pull request #405 synchronize by loriab
August 3, 2023 21:18 7m 13s cvsik:tm_fixes
August 3, 2023 21:18 7m 13s
Some Turbomole fixes
CI #511: Pull request #405 synchronize by loriab
August 3, 2023 21:12 16m 16s cvsik:tm_fixes
August 3, 2023 21:12 16m 16s
Psi4 random fail restarts (#409)
CI #510: Commit 3f69fad pushed by loriab
August 2, 2023 23:01 27m 12s master
August 2, 2023 23:01 27m 12s
Fix MDI forces structure
CI #509: Pull request #401 synchronize by loriab
August 2, 2023 22:59 28m 50s taylor-a-barnes:mdi
August 2, 2023 22:59 28m 50s
update torsiondrive to use task config (#410)
CI #508: Commit 25d3b99 pushed by loriab
August 2, 2023 22:23 36m 8s master
August 2, 2023 22:23 36m 8s
Psi4 random fail restarts
CI #507: Pull request #409 synchronize by loriab
August 2, 2023 22:21 6m 4s jthorton:psi4_restarts
August 2, 2023 22:21 6m 4s
Psi4 random fail restarts
CI #506: Pull request #409 synchronize by loriab
August 2, 2023 22:11 28m 22s jthorton:psi4_restarts
August 2, 2023 22:11 28m 22s
Psi4 random fail restarts
CI #505: Pull request #409 synchronize by loriab
August 2, 2023 22:08 27m 24s jthorton:psi4_restarts
August 2, 2023 22:08 27m 24s
update torsiondrive to use task config
CI #504: Pull request #410 synchronize by loriab
August 2, 2023 21:33 29m 57s jthorton:td_fix
August 2, 2023 21:33 29m 57s
stamp changelog
CI #503: Commit 1822ea4 pushed by loriab
August 2, 2023 15:37 27m 23s master
August 2, 2023 15:37 27m 23s
Pydanticv2again (#414)
CI #502: Commit 47f9c40 pushed by loriab
August 2, 2023 14:54 35m 29s master
August 2, 2023 14:54 35m 29s
Pydanticv2again
CI #501: Pull request #414 synchronize by loriab
August 1, 2023 23:01 36m 12s loriab:Pydanticv2again
August 1, 2023 23:01 36m 12s
Pydanticv2again
CI #500: Pull request #414 synchronize by loriab
August 1, 2023 22:36 2m 53s loriab:Pydanticv2again
August 1, 2023 22:36 2m 53s