Article ID: 1064 - Last Modified: June 2, 2011
I have run several related jobs in Jaguar. Is there a way to quickly scan the output files and extract certain numbers?
Yes. Use the jaguar results command, which is described in Section 5.1 of the Jaguar User Manual. If, for instance, you would like to extract final energies from the output files in a directory, along with the method and basis set used in each calculation, you would issue the following command:
jaguar results -title -jobname -method -basis -energy *.out
This command would return output similar to that below:
Keywords: Jaguar, brief, summary, summarize
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