Metadata-Version: 1.0
Name: pyvib2
Version: 1.1
Summary: A program for analyzing vibrational motion and vibrational spectra
Home-page: http://pyvib2.sourceforge.net
Author: Maxim Fedorovsky
Author-email: Maxim.Fedorovsky@unifr.ch; mutable@yandex.ru
License: GNU GPL
Download-URL: http://sourceforge.net/project/platformdownload.php?group_id=190160
Description: 
        PyVib2 is a program for analyzing vibrational motion and vibrational
        spectra, written in pure Python. The program was developed by
        Maxim Fedorovsky during his Ph.D. thesis work in Prof. Werner Hug's research
        group. PyVib2 permits the automatic correlation of vibrational motions of
        molecules thereby allowing an understanding of Raman, Raman optical
        activity (ROA), infrared vibrational absorption (IR), and vibrational
        circular dichroism (VCD) spectra. The versatile representation of
        vibrational motions, the visualization techniques of Raman/ROA and
        IR/VCD generation in molecules and the production of publication quality
        spectra, are features of PyVib2.
        
        Output files of Raman/ROA and IR/VCD calculations, produced with the
        DALTON and Gaussian quantum chemistry packages, can be directly opened.
        Files in the MOLDEN and XMol XYZ format can be imported and exported.
        A variety of formats (JPEG, TIFF, PNG, PNM, PS, PDF, Animated GIF, FLI)
        are available to the user for saving results.
        
        All the functionalities are accessible via the pyviblib class library.
        
        
Platform: Any
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: GNU General Public License (GPL)
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Visualization
Classifier: Natural Language :: English
