This just reads the first 'Done' line from the file. YOu need run this
Code:
awk '/Done/ {print $2; exit}' Ar_b3lyp_pv5z.out
and see what you get. I suspect you get nothing. In that case, play with this line awk statment until it produces what you want. Duplicate your efforts on the other line that creates col4. Dont forget to add the | read col3 and read | col4 statements back onto the line.
If you know what the values are supposed to be anyway, hardcode them in, skip the awk for now example:
This just reads the first 'Done' line from the file. YOu need run this
Code:
awk '/Done/ {print $2; exit}' Ar_b3lyp_pv5z.out
and see what you get. I suspect you get nothing. In that case, play with this line awk statment until it produces what you want. Duplicate your efforts on the other line that creates col4. Dont forget to add the | read col3 and read | col4 statements back onto the line.
If you know what the values are supposed to be anyway, hardcode them in, skip the awk for now example:
The leading # character comments out the line. Repeat this for the col4 line.
It seems when I run the awk '/Done/ {print $5; exit}' Ar_b3lyp_pv5z.out in the command line I do get my one value that I want to repeat 101 times. But when I run the entire script everything is printed except for columns 3 and 4.
Any thoughts. Thanks.
Also I don't know if you care or not but this is technically not my work but yours so I should cite your name as a reference. That's up to you.
I actually have enough publications - I'm not in academe anymore. Thank you, though.
Change both of the awk-s to use column five ( $5 or $6 or $12 or whatever works) and post your code. You did test the "second" awk to see if it gives you data as well in the col4 variable, right?
If you need to get this thing out the door in finite time consider attaching some real files to your post (with dummy data if the data is restricted BUT the correct format is REALLY REALLY important). Why? I didn't know about the $5 thing til now.
What I need is a short sample of expected output, and a few lines from the three input files. I did not ask earlier because people often have restrictions on data samples posted on public forums. Wisely so.
I believe that i attached 3 .out files. The one ArCl.... has 101 points. The other two files Cl... and Ar... have only one point each and those I need repeated in the columns.
I was also wondering if some of the information like the file names, numbers after the $, and newfile name can be made variables that will prompt you from the command line.
Hello friends,
I was wondering if you can help me with probably a simple function to you all: the sample looks and has this format. I was wondering how I could extract the first and second column starting including the line 'E/N and Ko' and not stop until there are no more lines. Thank you for... (5 Replies)
