Re: [cclib-devel] PyVib2

[Maxim F. <Max...@un...>]

       Dear Karol,

    Mohamed Zerara was a postdoc in our working group. At the time being 
he does work with us anymore. He has written pyVib and I supposed to 
extend it with new developments. But as I started, it became evident 
that it is much more easier to make an own program with an own 
infrastructure to do the job. So PyVib2 came into world.

    A significant difference between pyVib and PyVib2 is the following : 
the former does not have anything new from the scientific point of view, 
since it implements the existing things already done in a Matlab program 
called VOAVIEW of Gerard Zuber and Jacques Haesler. VOAVIEW was done 
already before I and Zerara entered the working group of Prof. Hug. In 
its turn, PyVib2 provides the possibility to compare force fields via 
their normal modes, which is a new development. Furthermore, in a next 
version, a new (currently top-secret) technique for VROA will become 
available -) I hope I clarified the question ;)


    With best regards,
    Maxim Fedorovsky.
> Dear Max,
>
>   It has been some time since PyVib was discussed on the cclib list, but I 
> stumbled onto this today:
> http://www3.interscience.wiley.com/cgi-bin/abstract/114279037/ABSTRACT
>
>  What is the relation between PyVib and PyVib2? Is Mohamed Zerara in the same 
> research group as you?
>
> Cheers,
> Karol
>
> On Saturday 24 February 2007 18:30, Maxim Fedorovsky wrote:
>   
>>        Dear developers of cclib,
>>
>>     I have started a Python project, called PyVib2
>> http://pyvib2.sourceforge.net/ , which probably could be interesting for
>> you.
>>
>>
>>     With best regards,
>>     Maxim Fedorovsky.
>>     
>
>