[Pw_forum] cp.x output: .pos

[Paolo Giannozzi]

On Aug 6, 2012, at 18:11 , xiaochuan Ge wrote:

> Before

before what date? the last change that may have affected the way
files *.pos are printed should be this one (6 years ago!):
    http://qe-forge.org/gf/project/q-e/scmsvn/?action=browse&path=% 
2F&view=rev&revision=2919
You may try to set nice_output_file=.false. in print_out.f90 to see what
happens

P.

> the structrue of this file is:
>
> step number and time of the snapshot 1
> coordinates of all the atoms
> step number and time of the snapshot 2
> coordinates of all the atoms
> ......
>
> That is, different snapshots are separated by an extra line which  
> indicates the step number and the time of this snapshot. But with  
> the newest version that I compiled on cineca-plx, this extra line  
> disappears. Now all the snapshots are mixed together, which is  
> quite inconvenient for me to check some information. I checked the src
> of the printout_base.f90, it seems that nothing has been changed  
> for this file. Is there anyone knows what happened, and how could I  
> make a easy change to the code in order to recover the previous  
> function?
>
> Thanks in advance.
> ===================
> Ge Xiaochuan(Giovanni)
> 3rd year PHD Student
> Condensed Matter
> SISSA,Italy
> ===================
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---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222