DPio

The module provides an interface between Python and DP input/output files. It allows you to visualise the calculation results using matplotlib or xmgrace efficiently.

List of Files

SRcommon.py General definitions like index grids RegularVGrid.
SRplot.py Plotting for 2D-arrays depending on two parameters.
dp_chi0.py Read full $\chi^0$ from DP-output file chi0.dat.
dp_mdf.py Read DP-output file out(n)lf.mdf (header+data)
dp_log.py Read DP-logfile (k-points and energies).
dp2plot.py Plot DP-output from out(n)lf.mdf files using matplotlib
dp2agr.py Plot DP-output from out(n)lf.mdf files using xmgrace.

Examples are included at the end of each file and can be executed using python <file>. A detailed documentation can be found in the code (use pydoc).

Download

Download the attachted tar-file and extract the content using tar -xvf DPio_r367.tar Alternatively, the latest version can be downloaded from the SVN Repository by svn co svn+ssh://etsf.polytechnique.fr/var/svn/share/dp-SR/SR-dp-5.2.99/trunk/python/DPio DPio Remember to add the install path to the shell variable PYTHONPATH.

Prerequisites
  • Python (>2.6)
  • Python modules: numpy, scipy, matplotlib
  • (opt) GracePlot http://sourceforge.net/projects/graceplot or the modified code in the SVN Repository and use svn co svn+ssh://etsf.polytechnique.fr/var/svn/share/tools/GracePlot/trunk GracePlot

Copyright (c) 2011, Ralf Hambach. All rights reserved.
See LICENSE file for use of this source code (BSD license, open source).

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File DPio_r367.tgz518.27 KB