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SVN archive Commit Log


Commit Date  
[r26465] by bugman

Added the frame order matrix element graphs for the in-frame free rotor pseudo-ellipse model.

2014-11-09 15:43:24 Tree
[r26464] by bugman

Fixes for free rotor isotropic cone 1st degree frame order matrix graphs calculated using relax.

The 1st degree function accepts the cone opening angle theta rather than the order parameter S.

2014-11-09 12:33:51 Tree
[r26463] by bugman

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

This only required the self.torsion_check variable to be set to False. The model uses the
inside_pseudo_ellipse() and rotation_hypersphere() methods.

2014-11-09 12:28:18 Tree
[r26462] by bugman

Recreated all of the simulated pseudo-ellipse frame order matrix element graphs.

These are now in the Kronecker product notation so that they will match the graphs calculated using
the relax lib.frame_order.pseudo_ellipse module.

The change of r26447 which should have recreated the graphs was incorrect.

2014-11-09 12:15:14 Tree
[r26461] by bugman

Fixes for the torsionless pseudo-ellipse 1st degree frame order matrix element graphs.

2014-11-09 10:27:15 Tree
[r26460] by bugman

Bug fix for the torsionless pseudo-ellipse 1st degree frame order matrix.

The 11 element was of the wrong sign.

2014-11-09 10:25:18 Tree
[r26459] by bugman

Added the torsionless pseudo-ellipse model to the frame order matrix element simulation script.

The generated Grace graphs containing the matrix values for 1,000,000 simulation values have been
added to the repository. The rotations are generated by the rotation_hypersphere_torsionless()
method and the angle violations checked using the inside_pseudo_ellipse() method.

2014-11-09 09:45:14 Tree
[r26458] by bugman

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

The generated Grace graphs containing the matrix values for 1,000,000 simulation values have been
added to the repository. The self.torsion_check variable has been created to allow the
inside_iso_cone() method to skip the torsion angle check when its value is False.

2014-11-08 17:38:29 Tree
[r26457] by bugman

Created and added all of the torsionless isotropic cone simulated frame order matrix element graphs.

2014-11-08 11:53:38 Tree
[r26456] by bugman

Added the isotropic cone model frame order matrix simulation graphs for the cone opening angle theta_x.

2014-11-08 11:43:17 Tree
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