relax SVN archive

Modified profiling script for TSMK01, to use correct parameters k_AB and r20a.

Or else, the lib functions is just calculating with zero?

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Added DPL94 profiling script.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Support for the 3 vector system for double motions has been added to the frame order analysis.

This is used for the quasi-random Sobol' numeric integration of the PCS. The lanthanide to atom
vector is the sum of three parts: the 1st pivot to atom vector rotated by the 1st mode of motion;
the 2nd pivot to 1st pivot vector rotated by the 2nd mode of motion (together with the rotated 1st
pivot to atom vectors); and the lanthanide to second pivot vector.

All these vectors are passed into the lib.frame_order.double_rotor.pcs_numeric_int_double_rotor()
function, which passes them to the pcs_pivot_motion_double_rotor() function where they are rotated
and reconstructed into the Ln3+ to atom vectors.

Added the 'NS CPMG 2-site 3D' model to the dispersion super profiling script.

To handle the fact that this script has nr_iter set to 100 rather than 1000 (as otherwise it is too
slow), a list of scaling factors has been created to scale all timing numbers to equivalent values.

Added a script for profiling the 'NS CPMG 2-site 3D' relaxation dispersion model.

This is the model at http://wiki.nmr-relax.com/NS_CPMG_2-site_3D. Again this only involved copying
one of the other scripts and modifying a few variable and function names.

Modified all of the dispersion model profiling scripts.

The single() function for timing the single spin target function speed has been modified to include
a second outer loop over 100 'spins'. This means that the timing numbers are equivalent to the
cluster timings, as both are then over 100 spins. This now allows not only relax version
differences and model differences to be compared, but also the non-clustered and clustered analysis
speeds.

Updated the profiling super script and log for the 'NS CPMG 2-site expanded' model.

This is the model at http://wiki.nmr-relax.com/NS_CPMG_2-site_expanded. This shows that the single
spin calculation is 1.8 times faster, and the cluster of 100 11.7 times faster, when compared to
relax 3.2.2.

Added a profiling script for the 'NS CPMG 2-site expanded' dispersion model.

This is the model at http://wiki.nmr-relax.com/NS_CPMG_2-site_expanded. The script was copied from
that of the CR72 model, and it only needed to be changed in a few places. This is the first numeric
model profiling script.

Added a log file for comparing the speed of the disp_speed_branch to relax 3.2.1.

This is from the disp_profile_all.py statistics generating script.

Merged revisions 24058 via svnmerge from
svn+ssh://tlinnet@.../svn/relax/trunk

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r24058 | bugman | 2014-06-17 19:46:10 +0200 (Tue, 17 Jun 2014) | 6 lines

Fix for the Library.test_library_independence verification test on MS Windows.

The tearDown() method now uses the error handling test_suite.clean_up.deletion() function to remove
the copied version of the relax library.
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