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SVN archive Commit Log


Commit Date  
[r23814] by tlinnet

Initial try to reshape dw faster.

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

2014-06-11 06:28:27 Tree
[r23813] by tlinnet

Made iinitialisation structures for dw.

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

2014-06-11 06:28:25 Tree
[r23812] by bugman

Fixes for the rotor object created by the frame_order.pdb_model user function.

The rotor is now also shown for the free rotor pseudo-ellipse, despite it being a useless model, and
the propeller blades are no longer staggered for all the free rotor models so that two circles are
no longer produced.

2014-06-11 06:21:48 Tree
[r23811] by bugman

Added a script for recreating the frame order PDB representation and displaying it in PyMOL.

This is for the optimised results.

2014-06-11 06:19:22 Tree
[r23810] by bugman

Added the full optimisation results for the free rotor frame order model with missing data.

This is for the CaM test data using the new frame_order.py optimisation script.

2014-06-11 06:10:02 Tree
[r23809] by bugman

Removed a PDB file from the free rotor CaM frame order test data directory.

This is now present as a *.gz file, so the uncompressed file can go.

2014-06-11 06:08:17 Tree
[r23808] by bugman

Added the full optimisation results for the 2nd free rotor frame order model.

This is for the CaM test data using the new frame_order.py optimisation script.

2014-06-11 06:07:50 Tree
[r23807] by bugman

Added the full optimisation results for the free rotor frame order model.

This is for the CaM test data using the new frame_order.py optimisation script.

2014-06-11 06:07:03 Tree
[r23806] by tlinnet

Removed un-used self structures in __init__of class.

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

2014-06-10 19:06:12 Tree
[r23805] by tlinnet

Replaced self.spins_a with self.disp_struct.

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

2014-06-10 18:58:24 Tree
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