relax SVN archive

Speeded up model NS CPMG 2site star, by moving the forming of the propagator matrix out of the for loops, and preform it.

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

Fully implemented the double rotor frame order model for PCS data.

Sobol' quasi-random points for the numerical integration are now generated separately for both
torsion angles, and two separate sets of rotation matrices for both angles for each Sobol' point are
now pre-calculated in the create_sobol_data() target function method. The calc_vectors() target
function method has also been modified as the lanthanide to pivot vector is to the second pivot in
the double rotor model rather than the first. The target function itself has been fixed as the two
pivots were mixed up - the 2nd pivot is optimised and the inter-pivot distance along the z-axis
gives the position of the 1st pivot.

For the lib.frame_order.double_rotor module, the second set of Sobol' point rotation matrices
corresponding to sigma2, the rotation about the second pivot, is now passed into the
pcs_numeric_int_double_rotor() function. These rotations are frame shifted into the eigenframe of
the motion, and then correctly passed into pcs_pivot_motion_double_rotor(). The elimination of
Sobol' points outside of the distribution has been fixed in the base pcs_numeric_int_double_rotor()
function and now both torsion angles are being checked.

Implemented profiling script for ns mmq 3site and 3site linear.

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

Implemented profiling script for NS MMQ 2SITE.

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

Copied profiling script to ns mmq 3site linear.

Copied profiling script from mmq cr72, to ns mmq 2site and 3site.

Fix for the replacement value for invalid values in model MMQ CR72.

The value was set to use r20, but should instead be 1e100.

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

Added profiling script for model mmq cr72,

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

Added the system information printout to the dispersion model profiling master script output.

This is for the log files comparing one version of relax to the previous version.

Added a relaxation dispersion model profiling log file for relax version 3.1.3 vs. 3.1.2 vs. 3.1.1.

This is the output from the dispersion model profiling master script. It shows that there are no
major speed differences between these relax versions.