Hello everyone,
As it is my first question of the year 2011, I take this opportunity to wish all LIGGGHTS' users a Happy New Year.
About my question, I would like to know if it exists a Pizza's function to export the data from the custom dump to txt files ?
Each line of txt file will be the numerical data dumped for one atom. I need these txt files to perform posttreatment with Matlab.
Regards
JF
ckloss | Fri, 01/14/2011 - 08:25
Hi JF, wish you a good 201
Hi JF,
wish you a good 201 too :-)
regarding your question: basically the format of an (ASCII) dump file is exactly what you need
what you can do is to load the dump file in pizza, select the time-step you want, and write it to a new dump file
see http://www.sandia.gov/~sjplimp/pizza/doc/dump.html
Cheers,
Christoph
JF | Fri, 01/14/2011 - 09:24
Hi Christoph, Thank you for
Hi Christoph,
Thank you for your suggestion and the link. It is exactly what I need.
However, I have just a small problem with the flags (head,app) of the function d.write().
I perform this sequence:
d=dump("dump.mysimulation")
d.write("simulation",0,0)
d.scatter("results")
but I have this error for the function write()
File "", line 1, in
TypeError: write() takes exactly 2 arguments (4 given)
I become crazy with Python, I gave only 2 arguments.
Please, Can a Python expert help me ?
I use the last Pizza version (17 August 2010).
Regards
JF
ckloss | Fri, 01/14/2011 - 09:30
Sorry, my fault. Please have
Sorry, my fault. Please have a look at your LOCAL pizza.py documentation, the web reference differs here because this version is newer.
Christoph
JF | Fri, 01/14/2011 - 10:01
Thanks for the information, I
Thanks for the information, I downloaded the last pizza.py version (24 November 2010) on the website, because only this version has these interesting flags in the function write().
It works well.
JF