Vtotav.py: Difference between revisions

Revision as of 17:26, 8 July 2016

There is a script written by Python to convert LOCPOT for visualization.

The source of this script is from Github [1]

You can download it by clicking the link or from our Wiki:

1 Uncompress and copy it to your bin folder

2 chmod u+x ~/bin/vtotav.py

3 In terminal, go to the folder containing work function calculation and run it with command: vtotav.py LOCPOT z (z is the direction)

4 You will get output file named LOCPOT_Z

5 Because there are many spaces in the output file, I wrote a script to convert those spaces into the excel format data (already in File:Vtotav.tgz):

 sed -i '1d' LOCPOT_Z &&  sed -i 's/  */\t/g' LOCPOT_Z &&  sed -i 's/^[ \t]*//' LOCPOT_Z

6 Copy the numbers from modified LOCPOT_Z to excel or Origin, and draw the figures

@@ Line 15: / Line 15: @@
 You will get output file named   LOCPOT_Z
-Because there are many spaces in the output file, I wrote a script to convert those spaces into the excel format data:
+Because there are many spaces in the output file, I wrote a script to convert those spaces into the excel format data (already in [[Image:Vtotav.tgz]]):
-#!/usr/bin/env bash
+  sed -i '1d' LOCPOT_Z &&  sed -i 's/  */\t/g' LOCPOT_Z &&  sed -i 's/^[ \t]*//' LOCPOT_Z
-sed -i '1d' LOCPOT_Z
-sed -i 's/  */\t/g' LOCPOT_Z
-sed -i 's/^[ \t]*//' LOCPOT_Z
-copy the numbers from modified LOCPOT_Z to excel or Origin, and draw the figures
+Copy the numbers from modified LOCPOT_Z to excel or Origin, and draw the figures