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move slurm queue templates to files test #72: Commit 2b4e5c7 pushed by ntBre
September 15, 2024 17:31 1m 54s master
master
September 15, 2024 17:31 1m 54s
update default cfour queue template test #71: Commit 507bc5c pushed by ntBre
September 15, 2024 16:19 1m 57s master
master
September 15, 2024 16:19 1m 57s
include LD_LIBRARY_PATH in default mopac template test #70: Commit c9c75b3 pushed by ntBre
September 14, 2024 20:28 2m 2s master
master
September 14, 2024 20:28 2m 2s
document program_cmd/submit requirement test #69: Commit cb36b2e pushed by ntBre
September 14, 2024 20:18 2m 9s master
master
September 14, 2024 20:18 2m 9s
standardize on CFOUR_CMD test #68: Commit 5ec492d pushed by ntBre
September 14, 2024 20:00 2m 4s master
master
September 14, 2024 20:00 2m 4s
Simplify various Queue::write_submit_script implementations (#9) test #67: Commit 645a6dd pushed by ntBre
September 14, 2024 16:36 1m 55s master
master
September 14, 2024 16:36 1m 55s
Simplify various Queue::write_submit_script implementations test #66: Pull request #9 opened by ntBre
September 14, 2024 16:34 1m 56s genqueue
genqueue
September 14, 2024 16:34 1m 56s
simplify found_opt check test #65: Commit bc4c009 pushed by ntBre
September 10, 2024 23:01 6h 0m 24s master
master
September 10, 2024 23:01 6h 0m 24s
use MOLPRO_CMD to run Molpro jobs on Slurm test #64: Commit f22b342 pushed by ntBre
August 30, 2024 22:50 1m 51s master
master
August 30, 2024 22:50 1m 51s
fix new clippy first paragraph lint test #63: Commit 3bf3285 pushed by ntBre
August 30, 2024 22:33 1m 48s master
master
August 30, 2024 22:33 1m 48s
parse mopac aux files with more than 40 atoms test #62: Commit a28fcb5 pushed by ntBre
August 30, 2024 22:29 1m 45s master
master
August 30, 2024 22:29 1m 45s
update default paths to my new home area test #61: Commit 7fe39ad pushed by ntBre
August 20, 2024 16:58 1m 53s master
master
August 20, 2024 16:58 1m 53s
get rid of DEBUG in favor of log test #60: Commit 38225fc pushed by ntBre
July 31, 2024 19:07 2m 2s master
master
July 31, 2024 19:07 2m 2s
check for and warn on unconverged geometry test #59: Commit fa586f2 pushed by ntBre
July 31, 2024 16:30 1m 56s master
master
July 31, 2024 16:30 1m 56s
remove the failed job before resubmission (#5) test #58: Commit ae092db pushed by ntBre
July 15, 2024 21:34 1m 53s master
master
July 15, 2024 21:34 1m 53s
get rid of unstable (and debated) iter_collect_into feature test #57: Commit c22e138 pushed by ntBre
July 15, 2024 17:24 1m 51s master
master
July 15, 2024 17:24 1m 51s
remove nalgebra dependency test #56: Commit fde4fa3 pushed by ntBre
July 9, 2024 02:06 1m 48s master
master
July 9, 2024 02:06 1m 48s
Update nalgebra requirement from 0.32.2 to 0.33.0 test #55: Pull request #6 opened by dependabot bot
June 24, 2024 21:59 2m 2s dependabot/cargo/nalgebra-0.33.0
dependabot/cargo/nalgebra-0.33.0
June 24, 2024 21:59 2m 2s
add log, clean up failed_jobs on success test #54: Commit d373e16 pushed by ntBre
June 16, 2024 14:58 2m 5s master
master
June 16, 2024 14:58 2m 5s
return something useful in drain err case test #53: Commit 9005691 pushed by ntBre
June 13, 2024 23:37 1m 55s master
master
June 13, 2024 23:37 1m 55s
lazy_cell stabilized in nightly 1.81 test #52: Commit 936439f pushed by ntBre
June 10, 2024 01:28 1m 59s master
master
June 10, 2024 01:28 1m 59s
if let works on Err too test #51: Commit 335619f pushed by ntBre
June 10, 2024 01:15 1m 55s master
master
June 10, 2024 01:15 1m 55s
add cover recipe for checking coverage with tarpaulin test #50: Commit d2ea8fe pushed by ntBre
February 26, 2024 23:02 2m 4s master
master
February 26, 2024 23:02 2m 4s
handle new clippy lints test #49: Commit 3d1841b pushed by ntBre
February 26, 2024 22:39 2m 6s master
master
February 26, 2024 22:39 2m 6s
save template passed to Local::new, copy CFOUR Pbs impl to Local test #48: Commit e2ec9d9 pushed by ntBre
February 26, 2024 22:29 2m 0s master
master
February 26, 2024 22:29 2m 0s