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Commit Date  
[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
[r26423] by bugman

Simulation of the pseudo-ellipse frame order matrix elements.

This is for a simulation of 1,000,000 states for each angle increment, and includes in-frame and
out-of-frame and varying of theta X, Y, and Z. The resultant Grace graphs have been added to the
repository.

2014-11-03 07:18:07 Tree
[r26422] by bugman

The frame_order_simulate.py script now uses lib.text.progress.progress_meter().

This script for simulating the frame order matrix elements now uses the standard progress meter in
relax to simplify the script. This should also speed up the calculations as the progress printouts
were slowing down the calculations.

2014-11-02 21:45:56 Tree
[r26421] by bugman

A minor speed up for the frame_order_simulate.py script.

The angles are now being calculated at the very start prior to the main loop, removing repetitive
calculations.

2014-11-02 21:45:54 Tree
[r26420] by bugman

Docstring fixes for the new compile_1st_matrix_iso_cone() function.

2014-11-02 21:14:59 Tree
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