Menu

SVN archive Commit Log


Commit Date  
[r2878] by bugman

Bug fix for the failure of model selection in the 'full_analysis.py' script.

Because the 'run.delete()' user function had been removed the 'previous' run, which is a global
model, was being included in the list of runs (m0, m1, m2, etc.) for model selection cause a
failure.

2006-11-23 05:59:15 Tree
[r2877] by bugman

Ported r2872 from the 1.3 line.

The command used was:
svn merge -r2871:2872 svn+ssh://bugman@.../svn/relax/1.3

This fixes a bug in the 'full_analysis.py' script whereby 'run.delete()' was being called destroying
the data required for the convergence tests.

2006-11-23 05:48:38 Tree
[r2876] by bugman

Ported r2868 from the 1.3 line.

The command used was:
svn merge -r2867:2868 svn+ssh://bugman@.../svn/relax/1.3

This fixes the parameter convergence test in 'full_analysis.py'.

2006-11-23 05:45:53 Tree
[r2875] by bugman

Ported r2864 and r2865 from the 1.3 line.

The command used was:
svn merge -r2863:2865 svn+ssh://bugman@.../svn/relax/1.3

This adds convergence tests to the 'full_analysis.py' script so that the user is told whether
convergence has occured.

2006-11-23 05:44:10 Tree
[r2874] by bugman

Ported r2873 from the 1.2 line.

The command used was:
svn merge -r2872:2873 svn+ssh://bugman@.../svn/relax/1.2

This improves the release checklist.

2006-11-23 05:39:20 Tree
[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
Older >
Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.