in reply to Re: Making commond for large number of files
in thread Making commond for large number of files
Thanks for your reply. Each files contains information in number and alphabets. There are two things which I need from each file. One is the SCF Done that is energy like SCF Done =0.56846. Second is a column with electron delocalization papameter that a long column with number but column header is (EDu). I want to. 1. Which file among 200 files have lowest SCF Done. 2. Then I want to use the (EDu) column of this minimized SCF Done file from step 1 to get the difference of (EDu) of all remaining 199 files and want to get result in a text file. For example if (EDu) of minimum SCF Done file be (EDu)min. I want (EDu)min - (EDu)1, (EDu)min - (EDu)2.......... where 1, 2, 3..... represent the name of all files in the directory.
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Re^3: Making commond for large number of files
by GotToBTru (Prior) on Apr 17, 2015 at 18:49 UTC | |
by acrobat118 (Initiate) on Apr 18, 2015 at 06:41 UTC | |
by acrobat118 (Initiate) on Apr 17, 2015 at 19:30 UTC | |
by GotToBTru (Prior) on Apr 17, 2015 at 20:16 UTC |