[cclib-devel] new parsed data

[Adam T. <ate...@gm...>]

I'm finding myself interested in having two new attributes in cclib:

1) vibweights (or vibmasses) -- the atomic masses used in calculating frequencies. Someone from my old lab wants me to extend a script used to calculate NRVS data (that depends upon cclib) to work with more than just Gaussian (i.e. MolPro).

2) nmrisos (and possibly nmranisos) -- NMR shielding tensors. 

Thoughts on attribute names? The first is something I'd like to hash out this weekend. The second is just something that I might find somewhat useful, but I'd probably only implement it for Gaussian unless others really have a need for it with other programs.

Adam