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QChASM / Aaron

AARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions.
GNU General Public License v3.0
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Repeated status printing #26

Closed swheele2 closed 6 years ago

swheele2 commented 6 years ago

When there are 2 or more ligands, AARON prints the status of the first ligand twice:

================================================================================ Status for all jobs...(Fri Aug 10 12:38:01 2018)

Status for Cat1 jobs......

Pending jobs: Cat1/R/ts2 step 1 attempt 1: No msg recorded Cat1/S/ts1 step 1 attempt 1: No msg recorded Cat1/S/ts2 step 1 attempt 1: No msg recorded Cat1/S/ts3 step 1 attempt 1: No msg recorded

================================================================================ Status for all jobs...(Fri Aug 10 12:38:01 2018)

Status for Cat1 jobs......

Pending jobs: Cat1/R/ts2 step 1 attempt 1: No msg recorded Cat1/S/ts1 step 1 attempt 1: No msg recorded Cat1/S/ts2 step 1 attempt 1: No msg recorded Cat1/S/ts3 step 1 attempt 1: No msg recorded

Status for Cat2 jobs......

Pending jobs: Cat2/R/ts2 step 1 attempt 1: No msg recorded Cat2/S/ts1 step 1 attempt 1: No msg recorded Cat2/S/ts2 step 1 attempt 1: No msg recorded Cat2/S/ts3 step 1 attempt 1: No msg recorded

yanfeiguan commented 6 years ago

Fixed!