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Commit Date  
[r11170] by bugman

Created the d2func_population() Hessian target function for the N-state model.

This may either be buggy or too sparse to run Newton optimisation well!

2010-04-29 17:00:51 Tree
[r11169] by bugman

Updated and corrected all the Hessian method docstrings.

2010-04-29 13:38:02 Tree
[r11168] by bugman

Bug fix for the N-state model 'fixed' and 'population' models.

If too many tensors are initialised in comparison to PCS and RDC alignments, then the parameter
vector or parameter number was not being correctly assembled. The cdp.align_ids is now being used
to validate all setups.

2010-04-29 12:52:20 Tree
[r11167] by bugman

Bug fix for the 'population' N-state model optimisation.

Constraints must be used at all times for this to work!!!

2010-04-28 17:48:53 Tree
[r11166] by bugman

Another fix for the huge bug identified in r11163.

This is for the PCS part - this was also using equal weights for all states set to pN!

2010-04-28 16:53:08 Tree
[r11165] by bugman

Another fix for _update_model().

This was introduced in the last change. The alignment tensors are only updated if alignment data
is loaded.

2010-04-28 15:50:40 Tree
[r11164] by bugman

Fix for the _update_model() method for handling missing RDC and PCS data.

The alignment tensor initialisation order was being mixed up!

2010-04-28 15:04:06 Tree
[r11163] by bugman

Huge bug fix for the 'population' N-state model.

The probabilities of each state was being set to that of the last state. This is fatal for this
model. Earlier code did not have this problem, but it is unknown when this bug was introduced.

2010-04-28 14:35:26 Tree
[r11162] by bugman

The weights of each state are now set to equal probability prior to the 'population' opt.

This is in the 'population' N-state model system test script.

2010-04-28 09:26:03 Tree
[r11161] by bugman

Added the pymol_macro method to the specific object API.

2010-04-27 18:11:41 Tree
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