relax SVN archive

Updated the frame order optimisation results for the 2-site CaM test data fitting to the rotor model.

The optimisation in the frame_order.py is now of higher precision with the number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo simulations. The new
frame order representation files have been added to the repository, as well as the intermediate
state files.

Increased the default grid bounds for the pivot parameters of the frame order models.

The pivot point is now searched for in a 50 Angstrom box and the pivot displacement for the double
motion models from 10 to 60 Angstroms. These were originally a 20 Angstrom box and 10 to 50
Angstroms. The larger grid is possible when combined with the new zooming grid search.

Added lots of calls to the time user function to the frame_order_free_start.py.

This will be used to fine tune the frame order analysis on a cluster.

Converted the frame_order_free_start.py script to use the zooming grid search.

Merged revisions 24729 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r24729 | bugman | 2014-07-24 18:38:04 +0200 (Thu, 24 Jul 2014) | 5 lines

Improved the logic for skipping parameters in the grid search.

The logic is also fully explained in the user function documentation.
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Improved the logic for skipping parameters in the grid search.

The logic is also fully explained in the user function documentation.

Merged revisions 24727 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r24727 | bugman | 2014-07-24 18:23:39 +0200 (Thu, 24 Jul 2014) | 7 lines

Even more even spacing for the frame order grid search.

This is for the parameters which exclude end points in the grid search, as these excluded points do
not decrease the number of increments searched over. This fixes the algorithm for all of the
bounds.
........

Even more even spacing for the frame order grid search.

This is for the parameters which exclude end points in the grid search, as these excluded points do
not decrease the number of increments searched over. This fixes the algorithm for all of the
bounds.

Merged revisions 24725 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r24725 | bugman | 2014-07-24 18:08:37 +0200 (Thu, 24 Jul 2014) | 6 lines

More even spacing for the frame order grid search.

This is for the parameters which exclude end points in the grid search, as these excluded points do
not decrease the number of increments searched over.
........

More even spacing for the frame order grid search.

This is for the parameters which exclude end points in the grid search, as these excluded points do
not decrease the number of increments searched over.