relax SVN archive

Updated the relax_disp_trunc.py script for Flemming Hansen's CMPG test data.

Fix for adding TSMFK01 to sample scripts.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com

Signed-off-by: Edward d'Auvergne <edward@...>

Added subsection with TSMFK01 model.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com

Signed-off-by: Edward d'Auvergne <edward@...>

Added TSMFK01 to model overview table.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com

Signed-off-by: Edward d'Auvergne <edward@...>

Added desc. item for model TSMFK01.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of Tollinger/Kay dispersion model (2001)
Following the guide at: http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ gmail_dot_com

Signed-off-by: Edward d'Auvergne <edward@...>

Deselected most of the default dispersion models from the dispersion GUI model list.

Now only one analytic and numeric model is selected per experiment type. This is to hint to the
user that maybe they shouldn't just use all models.

Removed a tonne of unused imports from the modules of the specific_analyses.relax_disp package.

Decreased the number of grid increments in the dispersion sample scripts from 21 to 11.

This is a much easier optimisation problem than the other analyses in relax, so 21 increments is an
overkill. It also takes far too long for some of the models due to the high number of parameters.

Huge speed win for the relaxation dispersion analysis - optimisation now uses the multi-processor.

The relaxation dispersion optimisation has been parallelised at the level of the spin clustering.
It uses Gary Thompson's multi-processor framework. This allows the code to run on multi-core, multi
-processor systems, clusters, grids, and anywhere the OpenMPI protocol is available.

Because the parallelisation is at the cluster level there are some situations, whereby instead of
optimisation being faster when running on multiple slaves, the optimisation will be slower. This is
the case when all spins being studied in clustered into a small number of clusters. It is also
likely to be slower for the minimise user function when no clustering is defined, due to the
overhead costs of data transfer (but for the numeric models, in this case there will be a clear
win).

The two situations where there will be a huge performance win is the grid_search user function when
no clustering is defined and the Monte Carlo simulations for error analysis.

Created the dispersion default_value_doc object.

This table is needed for the value.set user function.