Re: Parsing Guassian '03 Log Files


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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 )

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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';;
[download]

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

C:\test>perl -n0 junk9.pl junk2.dat
1.1136
1.3392
117.4979
0.9929
[download]

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.

"Too many [] have been sedated by an oppressive environment of political correctness and risk aversion."

Comment on Re: Parsing Guassian '03 Log Files Select or Download Code

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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}}` [download]	[reply] [d/l]

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