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SVN archive Commit Log


Commit Date  
[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
[r26419] by bugman

Created the Grace graphs for the free rotor isotropic cone 1st degree frame order matrix elements.

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

2014-11-02 21:14:57 Tree
[r26418] by bugman

Implemented the compile_1st_matrix_iso_cone_free_rotor() function.

This is for the lib.frame_order.iso_cone_free_rotor module. The function will calculate the 1st
degree in-frame frame order matrix for the free rotor isotropic cone model.

2014-11-02 21:14:55 Tree
[r26417] by bugman

Created the Grace graphs for the torsionless isotropic cone 1st degree frame order matrix elements.

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

2014-11-02 21:14:52 Tree
[r26416] by bugman

Implemented the compile_1st_matrix_iso_cone_torsionless() function.

This is for the lib.frame_order.iso_cone_torsionless module. The function will calculate the 1st
degree in-frame frame order matrix for the torsionless isotropic cone model.

2014-11-02 21:14:50 Tree
[r26415] by bugman

Created the Grace graphs for the isotropic cone model 1st degree frame order matrix elements.

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

2014-11-02 21:14:48 Tree
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