Hi,

Here are some of ideas,

1.Search for the string 'SCF Done=\d+'in each file, use this node for how to find a string in a file from this node how can i search a text file for a string and print every occurence of that string, do it for all the file and hold the data in a hash like below,

my %SCF_Done=('FileName1.txt'=>{energy_value=>123,line=>"line from eac
+h file"});

[download]

From here you do whatever you want, sort the energy_value and find the lowest value of energy and do split on the line and get each column and do subtract on $3 and save to a file.

All is well. I learn by answering your questions...

In reply to Re: Making commond for large number of files by vinoth.ree
in thread Making commond for large number of files by acrobat118

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