mailbug comment in model-free.py


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Posted by Douglas Kojetin on October 25, 2007 - 19:23:
Hi,

The following comment is present on line 1021 in the specifc_fns/ model-free.py file of the 1.2 svn version of relax:

1021 # This code causes a bug after model elimination if the model has been eliminated (select = 0).
1022            #if not self.relax.data.res[self.run][i].select:
1023            #    continue

The full_analysis.py script works find for the optimization of local_tm, sphere, etc ... but, I am unable to run the 'final' run in full_analysis.py unless I uncomment lines 1022-1023 in model-free.py.

I have to manually uncomment these lines to run the final analysis, then comment out these lines again. Can the code in model-free.py be modified to something like this:

if not self.relax.data.res[self.run][i].select and self.run == 'final':
    continue

Or should one not need to uncomment lines 1022-1023?

Doug







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