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Commit Date  
[r26433] by bugman

Simplifications for the inside_*() methods of the frame order matrix element simulation script.

The limit() method is now called only once outside of these methods and the maximum cone half-angles
passed into the inside_*() methods. Although only slightly faster, this is mainly to simplify the
code.

2014-11-07 08:08:23 Tree
[r26432] by bugman

Added the isotropic cone model to the frame order matrix element simulation script.

The generated in-frame and out-of-frame Grace graphs for the torsion angle cone_sigma_max,
containing the matrix values for 1,000,000 simulation values have been added to the repository. The
inside_iso_cone() method has been created to check for the theta_x and theta_z angle violations from
the rotation_hypersphere() method.

2014-11-07 08:00:59 Tree
[r26431] by bugman

Created the Grace graphs for the torsionless pseudo-ellipse model 1st degree frame order matrix.

These are the values calculated directly from the lib.frame_order modules. The graphs were
previously all zeros.

2014-11-06 19:01:37 Tree
[r26430] by bugman

Implemented the compile_1st_matrix_pseudo_ellipse_torsionless() function.

This is for the lib.frame_order.pseudo_ellipse_torsionless module. The function will calculate the
1st degree in-frame frame order matrix for the torsionless pseudo-ellipse model.

2014-11-06 19:00:00 Tree
[r26429] by bugman

Simplifications for all of the torsionless pseudo-ellipse frame order matrix equations.

2014-11-06 18:49:04 Tree
[r26428] by bugman

Updated all the calculated 1st degree frame order matrix graphs for the pseudo-ellipse.

The changes are due to the fixes in the lib.frame_order.pseudo_ellipse module.

2014-11-06 14:49:09 Tree
[r26427] by bugman

Simplifications and fixes for the 1st degree frame order matrix calculation for the pseudo-ellipse.

The compile_1st_matrix_pseudo_ellipse() function of the lib.frame_order.pseudo_ellipse module has
been significantly simplified by shifting a lot of maths outside of the quadratic integration.

2014-11-06 14:48:03 Tree
[r26426] by bugman

Added the free rotor model to the frame order matrix element simulation script.

The generated in-frame and out-of-frame Grace graphs containing the matrix values for 1,000,000
simulation values have been added to the repository. The inside_free_rotor() method has been added
to always return True for the rotation generated by rotation_z_axis().

2014-11-06 13:07:28 Tree
[r26425] by bugman

Added the rotor model to the frame order matrix element simulation script.

The generated in-frame and out-of-frame Grace graphs containing the matrix values for 1,000,000
simulation values have been added to the repository. The script was modified so that the rotation
is generated by special rotation_*() methods which are aliased depending on the model.

2014-11-06 12:47:49 Tree
[r26424] by bugman

The frame order matrix element simulation script now uses the Kronecker outer product.

This allows the frame order matrix to be in the same notation as that used internally in relax. It
will cause the colours of the Sijkl_* curves to match between the simulation and solution scripts.

2014-11-03 07:31:48 Tree
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