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Commit Date  
[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
[r23849] by tlinnet

Modified model B14 lib file to faster numpy multidimensional mode.

The implementations comes almost directly from the CR72 model file.

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

2014-06-11 17:37:40 Tree
[r23848] by tlinnet

Modified profiling script for the B14 model.

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

2014-06-11 17:37:37 Tree
[r23847] by tlinnet

Copied profiling script for CR72 to B14 model.

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

2014-06-11 15:15:03 Tree
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