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 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
Copyright (c) 2011, Ralf Hambach. All rights reserved. See LICENSE file for use of this source code (BSD license, open source).
DPio_r367.tgz
(518.27 KB)