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Commit Date  
[r2450] by macraild

Fix for bug #5501. Removes all residue selection on read operations, and
impliments protection from underfitting in minimise(), grid_search() and
calc()

2006-04-05 14:20:20 Tree
[r2449] by bugman

Model selection is now enabled for hybrid models. This completes task #3122.

The location of the task is https://gna.org/task/?func=detailitem&item_id=3122.

2006-04-05 09:34:20 Tree
[r2448] by bugman

Fixed two bugs in the hybridisation code.

2006-04-05 08:14:13 Tree
[r2447] by bugman

This is a file that should have been included in r2445.

2006-04-05 08:09:16 Tree
[r2446] by bugman

Stored the runs which form the hybrid in self.relax.data.hybrid_runs[].

This code is for task #3122 located at https://gna.org/task/?func=detailitem&item_id=3122.

2006-04-05 07:45:10 Tree
[r2445] by bugman

Added the ability to create hybrid runs.

This code is for task #3122 located at https://gna.org/task/?func=detailitem&item_id=3122.

The modifications allow the user function 'run.hybridise()' to create a run type called 'hybrid'.
All the tests for allowing hybridisation are done however, nothing can be done with the run yet.

2006-04-05 07:40:34 Tree
[r2444] by bugman

Added the prompt interface for the user function 'run.hybridise()'.

This code is for task #3122 located at https://gna.org/task/?func=detailitem&item_id=3122.

2006-04-05 07:10:19 Tree
[r2443] by bugman

Fix to bug #5660.

The bug report is located at https://gna.org/bugs/?func=detailitem&item_id=5660.

To fix the bug, a function in the base class of the specific functions has been added called
'self.has_error()'. This function checks the diffusion tensor data structures and the residue
specific data structures for error objects by looping over all objects 'object_name' and seeing if
there is a corresponding object called 'object_name' + '_err'.

The model-free results writing function now checks the 'self.has_error()' result and if successful,
then the error section is executed. The simulation section has also been modified to improve
flexibility.

2006-04-05 04:57:46 Tree
[r2442] by bugman

Merged in revisions 2440 to 2441 of the main 1.2 line.

The command used was:
$ svn merge -r2440:2441 svn+ssh://bugman@.../svn/relax/1.2

2006-04-05 03:08:06 Tree
[r2441] by bugman

Addition of a new test to the relax test suite.

The test creates three runs, two of which have S2 values set to 0.9 and 0.7. The difference is
calculated and assigned to the third run. If the S2 value of the third run is not ~0.2, then the
test fails.

2006-04-05 03:05:21 Tree
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