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[r23859] by bugman

Removed the 2nd pivot point infrastructure from the frame order analysis.

This change is almost the same as reverting r22177 of the deleted double_rotor branch. The 2nd
pivot is now defined via the pivot_disp parameter.

2014-06-12 08:53:55 Tree
[r23858] by bugman

Reparameterisation of the double rotor frame order model.

The two axes defined by spherical angles have been replaced by a full eigenframe and the second
pivot has been replaced by a single displacement along the z-axis of the eigenframe.

2014-06-12 08:47:31 Tree
[r23857] by bugman

Removed some debugging code from the frame order system tests.

This was used to activate all tests.

2014-06-12 08:44:38 Tree
[r23856] by bugman

Updated the free rotor and 2nd free rotor PDB representations using the represent_frame_order.py script.

This is for the CaM frame order test data.

2014-06-12 08:42:55 Tree
[r23855] by tlinnet

Removed use of "asarray", since the variables are already arrays.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-11 18:47:29 Tree
[r23854] by tlinnet

Comment fix for finding when E0 is above 700 in lib function of B14.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-11 18:43:47 Tree
[r23853] by tlinnet

Added additional tests in b14, when math errors can occur.

This is very easy with a conditional masked search in arrays.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-11 18:43:45 Tree
[r23852] by tlinnet

Changed unit test for B14 to match numpy input requirement.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-11 17:37:45 Tree
[r23851] by tlinnet

Changed the target function to handle the B14 model for faster numpy computation.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-11 17:37:43 Tree
[r23850] by tlinnet

Reverted the use of the mask "mask_set_blank".

It did not work, and many system tests started failing.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

2014-06-11 17:37:42 Tree
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