relax SVN archive

svn+ssh://bugman@.../svn/relax/branches/frame_order_cleanup

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r23624 | bugman | 2014-06-03 18:09:00 +0200 (Tue, 03 Jun 2014) | 3 lines

The frame_order.num_int_pts user function now throws a RelaxWarning if not enough points are used.
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r23625 | bugman | 2014-06-03 18:12:00 +0200 (Tue, 03 Jun 2014) | 6 lines

Changed the creation of Sobol' points for numerical integration in the frame order target functions.

The points are now all created at once using the i4_sobol_generate() rather than i4_sobol() function
from the extern.sobol.sobol_lib module.
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r23626 | bugman | 2014-06-03 18:29:44 +0200 (Tue, 03 Jun 2014) | 6 lines

Increased the number of integration points from 50 or 100 to 5000.

This is for all CaM frame_order.py test data optimisation scripts. The higher number of points are
essential for optimising the frame order models and hence for checking the relax implementation.
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r23627 | bugman | 2014-06-04 09:04:34 +0200 (Wed, 04 Jun 2014) | 6 lines

Updated the frame_order.py optimisation script for the small angle CaM rotor frame order test data.

This now has the correct rotor torsion angle of 1 degree, and the spherical coordinates are now
converted to the axis alpha parameter.
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