Posted by Valera on June 08, 2013 at 23:28:11:
In Reply to: Outputfile setting posted by Dongwen Zhang on June 07, 2013 at 13:47:40:
molcas output has markup elements, for instance all important information. like energies,
printed with :: in the beginning.
So, you can do for example
molcas input | grep '^::'
Another alternative - you can white your own filter. As a sample you may use $MOLCAS/sbin/ee
Post a Followup