relax SVN archive

Merged revisions 24521,24526-24528 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r24521 | bugman | 2014-07-11 10:39:52 +0200 (Fri, 11 Jul 2014) | 6 lines

Updated the minfx version in the release checklist document to 1.0.8.

This version has not been released yet, but it will include important fixes and additions for
constrained parallelised grid searches.
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r24526 | bugman | 2014-07-11 16:19:49 +0200 (Fri, 11 Jul 2014) | 3 lines

Fix for a broken link in the development chapter of the relax manual.
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r24527 | bugman | 2014-07-11 16:25:35 +0200 (Fri, 11 Jul 2014) | 6 lines

Fixes for dead hyperlinks in the relaxation dispersion chapter of the relax manual.

The B14 model links to http://www.nmr-relax.com/api/3.2/lib.dispersion.b14-module.html were broken
as the B in B14 was capitalised.
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r24528 | bugman | 2014-07-11 16:43:26 +0200 (Fri, 11 Jul 2014) | 6 lines

Sent in the verbosity argument value to the minfx.grid.grid_split() function.

The minfx function in the next release (1.0.8) will now be more verbose, so this will help with user
feedback when running the model-free analysis on a cluster or multi-core system using MPI.
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Sent in the verbosity argument value to the minfx.grid.grid_split() function.

The minfx function in the next release (1.0.8) will now be more verbose, so this will help with user
feedback when running the model-free analysis on a cluster or multi-core system using MPI.

Fixes for dead hyperlinks in the relaxation dispersion chapter of the relax manual.

The B14 model links to http://www.nmr-relax.com/api/3.2/lib.dispersion.b14-module.html were broken
as the B in B14 was capitalised.

Fix for a broken link in the development chapter of the relax manual.

Improvements, fixes and expansion of the redirects at http://www.nmr-relax.com/.

Added a script for testing out the parameter nesting abilities of the frame order auto-analysis.

This script attempts to find the dynamics solution without knowing where the pivot is located.
Hence this will be as in the auto-analysis were this pivot point will be used as the base for all
other models.

Fixes for the parallelised grid search for the frame order analysis.

A chi-squared value check was added to the Frame_order_result_command.run() method to check if the
value is lower than the current when the result is returned to the master. Without this check, each
grid subdivision result will be stored as they are returned rather than storing the results from the
global minimum of the entire grid search.

Parallelised the frame order grid search to run on clusters or multi-core systems via OpenMPI.

This involved the creation of the Frame_order_grid_command class which is the multi-processor
Slave_command for performing the grid search. This was created by duplicating the
Frame_order_minimise_command class and then differentiating both classes.

For the subdivision of the grid search, the new minfx grid.grid_split_array() function is used in
the frame order grid() API method. The grid() method no longer calls the minimise() method but
instead obtains the processor box itself and adds the subdivided grid slaves to the processor. The
relax grid_search user function takes care of the rest.

Updated the minfx version in the release checklist document to 1.0.8.

This version has not been released yet, but it will include important fixes and additions for
constrained parallelised grid searches.

Improvements for the printout at the start of optimisation of the frame order models.

This is in the target_fn_setup() frame order method. All the printouts are now in one place and
they are now better formatted and better controlled.