Re: [cclib-devel] PyVib2 for Windows

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

Noel O'Boyle schrieb:
> You refer to "Cartesian excursions". I wonder if this is the same as
> what I call "cartesian displacement vectors".
What I mean : sum_{a=1, N;  i=1, 3} m_a * Lx_{a, i}**2 = 1, where the 
masses are expressed in atomic units.
MOLDEN, for instance, uses Lx but takes the masses in atomic mass units 
rather than in a.u.
>
> Anyway, my question is, if we extract the information that PyVib2
> likes, would PyVib2 use cclib?
>
> Regards,
>   Noel
>
I guess, that as for any project, an additional dependency should 
justify its existence. Each of the PyVib2's dependencies was chosen very 
carefully. For instance, take Matplotlib -- an outstanding quality of 2D 
rendering is a weighty argument for using the package. If there would be 
more *reasonable* pro's than contra's in introducing cclib -- why not ? :)


With best regards,
Maxim Fedorovsky.