Re: Outputfile setting


[ Molcas user's WWWBoard ]

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:

Hi,
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




Follow Ups:



Post a Followup

Name:
E-Mail:

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:


[ Follow Ups ] [ Post Followup ] [ Molcas user's WWWBoard ]