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Commit Date  
[r2873] by bugman

Improvements to the release checklist.

2006-11-23 05:35:31 Tree
[r2872] by bugman

Fixed a bug in the 'full_analysis.py' script whereby 'run.delete()' was being called.

This was destroying the data required for the convergence tests.

2006-11-23 05:25:01 Tree
[r2871] by bugman

Fixed a bug in the 'full_analysis.py' script for the 1.3 line.

The problem was that task #3838 (https://gna.org/task/?3838) had split the PDB reading user function
from the user function to calculate the unit vector parallel to the XH bond. However the script had
not been updated to call 'structure.vectors()' and hence was not working.

2006-11-23 05:23:22 Tree
[r2870] by bugman

Removed some whitespace.

2006-11-23 05:21:31 Tree
[r2869] by bugman

Bug fix.

This fixes a bug introduced by the changes for task #3838 (https://gna.org/task/?3838). It is also
a partial fix for bug #7544 (https://gna.org/bugs/?7544).

2006-11-23 05:05:49 Tree
[r2868] by bugman

Fixed the parameter convergence test in 'full_analysis.py'.

2006-11-23 04:38:02 Tree
[r2867] by bugman

Bug fix. 'self.relax.generic.structure.read()' was being called when 'read_pdb()' should be.

2006-11-23 04:34:13 Tree
[r2866] by bugman

Changed all the references to the old user function class 'pdb' to 'structure'.

2006-11-23 04:32:24 Tree
[r2865] by bugman

Added a convergence test for the diffusion parameter values to the 'full_analysis.py' script.

2006-11-23 04:09:52 Tree
[r2864] by bugman

Added a function to test for convergence after each round in the 'full_analysis.py' script.

This is in response to the convergence question asked by Sebastien Morin in the post located at
https://mail.gna.org/public/relax-users/2006-11/msg00015.html (Message-id:
<456515E5.6020908@...>).

There are three convergence tests:
Identical chi-squared values.
Identical model-free models.
Identical model-free parameter values.

2006-11-23 03:58:12 Tree
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