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move slurm queue templates to files check #72: Commit 2b4e5c7 pushed by ntBre
September 15, 2024 17:31 36s master
master
September 15, 2024 17:31 36s
update default cfour queue template check #71: Commit 507bc5c pushed by ntBre
September 15, 2024 16:19 37s master
master
September 15, 2024 16:19 37s
include LD_LIBRARY_PATH in default mopac template check #70: Commit c9c75b3 pushed by ntBre
September 14, 2024 20:28 42s master
master
September 14, 2024 20:28 42s
document program_cmd/submit requirement check #69: Commit cb36b2e pushed by ntBre
September 14, 2024 20:18 41s master
master
September 14, 2024 20:18 41s
standardize on CFOUR_CMD check #68: Commit 5ec492d pushed by ntBre
September 14, 2024 20:00 35s master
master
September 14, 2024 20:00 35s
Simplify various Queue::write_submit_script implementations (#9) check #67: Commit 645a6dd pushed by ntBre
September 14, 2024 16:36 39s master
master
September 14, 2024 16:36 39s
Simplify various Queue::write_submit_script implementations check #66: Pull request #9 opened by ntBre
September 14, 2024 16:34 38s genqueue
genqueue
September 14, 2024 16:34 38s
simplify found_opt check check #65: Commit bc4c009 pushed by ntBre
September 10, 2024 23:01 6h 0m 23s master
master
September 10, 2024 23:01 6h 0m 23s
use MOLPRO_CMD to run Molpro jobs on Slurm check #64: Commit f22b342 pushed by ntBre
August 30, 2024 22:50 37s master
master
August 30, 2024 22:50 37s
fix new clippy first paragraph lint check #63: Commit 3bf3285 pushed by ntBre
August 30, 2024 22:33 38s master
master
August 30, 2024 22:33 38s
parse mopac aux files with more than 40 atoms check #62: Commit a28fcb5 pushed by ntBre
August 30, 2024 22:29 36s master
master
August 30, 2024 22:29 36s
update default paths to my new home area check #61: Commit 7fe39ad pushed by ntBre
August 20, 2024 16:58 36s master
master
August 20, 2024 16:58 36s
get rid of DEBUG in favor of log check #60: Commit 38225fc pushed by ntBre
July 31, 2024 19:07 36s master
master
July 31, 2024 19:07 36s
check for and warn on unconverged geometry check #59: Commit fa586f2 pushed by ntBre
July 31, 2024 16:30 39s master
master
July 31, 2024 16:30 39s
remove the failed job before resubmission (#5) check #58: Commit ae092db pushed by ntBre
July 15, 2024 21:34 37s master
master
July 15, 2024 21:34 37s
get rid of unstable (and debated) iter_collect_into feature check #57: Commit c22e138 pushed by ntBre
July 15, 2024 17:24 36s master
master
July 15, 2024 17:24 36s
remove nalgebra dependency check #56: Commit fde4fa3 pushed by ntBre
July 9, 2024 02:06 41s master
master
July 9, 2024 02:06 41s
Update nalgebra requirement from 0.32.2 to 0.33.0 check #55: Pull request #6 opened by dependabot bot
June 24, 2024 21:59 43s dependabot/cargo/nalgebra-0.33.0
dependabot/cargo/nalgebra-0.33.0
June 24, 2024 21:59 43s
add log, clean up failed_jobs on success check #54: Commit d373e16 pushed by ntBre
June 16, 2024 14:58 39s master
master
June 16, 2024 14:58 39s
return something useful in drain err case check #53: Commit 9005691 pushed by ntBre
June 13, 2024 23:37 43s master
master
June 13, 2024 23:37 43s
lazy_cell stabilized in nightly 1.81 check #52: Commit 936439f pushed by ntBre
June 10, 2024 01:28 47s master
master
June 10, 2024 01:28 47s
if let works on Err too check #51: Commit 335619f pushed by ntBre
June 10, 2024 01:15 40s master
master
June 10, 2024 01:15 40s
add cover recipe for checking coverage with tarpaulin check #50: Commit d2ea8fe pushed by ntBre
February 26, 2024 23:02 45s master
master
February 26, 2024 23:02 45s
handle new clippy lints check #49: Commit 3d1841b pushed by ntBre
February 26, 2024 22:39 48s master
master
February 26, 2024 22:39 48s
save template passed to Local::new, copy CFOUR Pbs impl to Local check #48: Commit e2ec9d9 pushed by ntBre
February 26, 2024 22:29 41s master
master
February 26, 2024 22:29 41s