mailA proposal for simplifying all relaxation dispersion data structures.


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Posted by Edward d'Auvergne on June 17, 2014 - 09:50:
Hi Troels,

Now that your array structures are well defined and all within one
clear block in the target function __init__() method, I thought that
maybe it would be a good time to reconsider the data assembly
functions and design in the specific_analyses.relax_disp package.
What I mean is that your new numpy structures could replace all of my
list of lists structures throughout the entire dispersion code base.

These data structures are primarily used for optimisation, and then
used a little in maybe 3-4 other places, so your numpy array
construction in the target function __init__() method could be
directly moved into
specific_analyses.relax_disp.data.return_r2eff_arrays() function (as
well as a few of the other return_*() functions).  My old list of
lists idea is now fully redundant and I would be happy if your numpy
construction replaces it completely :)

Regards,

Edward



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