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Re: Parsing Guassian '03 Log Files

by BrowserUk (Patriarch)
on Jan 31, 2008 at 03:42 UTC ( #665274=note: print w/replies, xml ) Need Help??

in reply to Parsing Guassian '03 Log Files

Use as perl -n0 thisScript theDataFile >outputFile

#! perl use strict; s[ Optimized \s Parameters (?: .+? \n ){5} (.+?) -+ \n GradGrad ]{ print "$_\n" for map{ (split)[ 2 ] } split "\n", $1; }gsex or warn 'No match';;

Against your sample (with some junk before and after) produces:

C:\test>perl -n0 junk2.dat 1.1136 1.3392 117.4979 0.9929

Examine what is said, not who speaks -- Silence betokens consent -- Love the truth but pardon error.
"Science is about questioning the status quo. Questioning authority".
In the absence of evidence, opinion is indistinguishable from prejudice.

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Re^2: Parsing Guassian '03 Log Files
by Andrew_Levenson (Hermit) on Jan 31, 2008 at 06:18 UTC
    That's fantastic, thank you. I'll test and tinker with it when I get to the lab tomorrow, see if I can't devise some solution of my own given your guidance.
    C(qw/74 97 104 112/);sub C{while(@_){$c**=$C;print (map{chr($C!=$c?shift:pop)}$_),$C+=@_%2!=1?1:0}}

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