Vibeplot, molecular vibrations viewer Code

Status: Beta

Brought to you by: mathias_laurin

Tree [cfe18f] master v1.6.0 /

History

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File	Date	Author	Commit
data	2014-11-27	Mathias Laurin	[0bee64] Refactor to 0.15.0
licenses	2014-11-27	Mathias Laurin	[0bee64] Refactor to 0.15.0
sphinx	2014-12-11	Mathias Laurin	[6ee43b] Update version to 1.6.0
vibeplot	2014-12-17	Mathias Laurin	[b0997e] Handle errors and report in loadFile
.gitignore	2014-12-11	Mathias Laurin	[ba9bd8] add data/ to gitignore
Makefile	2014-12-15	Mathias Laurin	[524141] fixup rcc rule in Makefile
QVibePlot.py	2014-12-17	Mathias Laurin	[0ed18a] Simpler title in save spectrum dialog
README.rst	2013-06-26	Mathias Laurin	[1b47fe] Update documentation.
coroutines.py	2014-12-06	Mathias Laurin	[823d16] Fix printer coroutine
mpl_canvas.py	2014-12-01	Mathias Laurin	[c36cb0] Fixups to 0.15.1
qvibeplot.ui	2014-12-18	Mathias Laurin	[cfe18f] Minor UI tweaks
qvibeplot_ui.py	2014-12-18	Mathias Laurin	[cfe18f] Minor UI tweaks
rcc.qrc	2014-11-27	Mathias Laurin	[0bee64] Refactor to 0.15.0
rcc4.py	2014-12-18	Mathias Laurin	[cfe18f] Minor UI tweaks
rcc5.py	2014-12-18	Mathias Laurin	[cfe18f] Minor UI tweaks
setup.py	2014-12-01	Mathias Laurin	[c36cb0] Fixups to 0.15.1
splitmold.py	2014-12-03	Mathias Laurin	[310f58] molden splitter
svg_widget.py	2014-12-15	Mathias Laurin	[7af1e8] Display svg in main window

Read Me

Vibeplot

QVibePlot is a program to visualize the results of ab-initio vibrational analyses in two dimensions.

Documentation and downloads are available on sourceforge.

The source code is hosted on sourceforge and github.

Citation/Support

Support vibeplot with citations of

Laurin, M. QVibeplot: A Program To Visualize Molecular Vibrations in Two Dimensions J. Chem Educ. 2013 DOI: 10.1021/ed300554z

License

The program is available under the BSD license of your choosing or, alternatively, the Python Software Foundation License.

Changelog

0.14.1

Parsing with Open Babel 2.3.0
Distributed with the OrbiMol database

0.14.0

Parsing with Open Babel 2.3.0

0.13.x series

Molden is the only format supported via a home made parser.