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CHANGELOG
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CHANGELOG
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2021-12-01 Vale Cofer-Shabica <[email protected]>
* qchem-pbs: experimental support for slurm
2021-11-17 Vale Cofer-Shabica <[email protected]>
* qchem-pbs: don't fail for no ext_libs
2021-08-11 Vale Cofer-Shabica <[email protected]>
* qchem-pbs: using branches now adds $QC/lib to LID_LIBRARY_PATH
2021-07-06 Vale Cofer-Shabica <[email protected]>
* qchem-pbs: added the --coredump flag to generate coredumps
2020-10-19 Vale Cofer-Shabica <[email protected]>
* qchem-pbs: Now use the qchem script and multi-job files with @@@
2020-10-16 Vale Cofer-Shabica <[email protected]>
* qchem-pbs: Added --save option to retain scratch files. The default behavior is *not* to save scratch files; saved files will go to ODIR
* qchem-pbs: Renamed --in-dir and --out-dir flags to --indir and --outdir respectively
2020-10-06 Vale Cofer-Shabica <[email protected]>
* qchem-pbs: Added --wall/-w as wall-clock time-limit with a default of 120 hours