r19335 - /branches/relax_disp/specific_analyses/relax_disp.py -- April 03, 2013 - 19:03

Author: bugman
Date: Wed Apr  3 19:03:36 2013
New Revision: 19335

URL: http://svn.gna.org/viewcvs/relax?rev=19335&view=rev
Log:
Completely redesigned the minimisation parts of the 
specific_analyses.relax_disp module.

Instead of dealing with the optimisation of individual spins, groups of spins 
are now optimised
together.  This allows for the clustering analysis of relaxation dispersion.  
The method
_block_loop() has been created to loop over spin blocks, but it currently 
only returns individual
spins.  However with the rest of the code designed to handle this loop, only 
this function needs
to be modified to enable clustering.

The method _param_num() has also been added to determine the total parameter 
number per spin block.
The data structures sent into the Dispersion target function class have also 
been redesigned to
handle spin blocks instead of individual spins.


Modified:
    branches/relax_disp/specific_analyses/relax_disp.py

[This mail would be too long, it was shortened to contain the URLs only.]

Modified: branches/relax_disp/specific_analyses/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp.py?rev=19335&r1=19334&r2=19335&view=diff