Menu

Commit [r23368]  Maximize  Restore  History

Changed most default dispersion parameter values to avoid edge cases where there is no exchange.

The dw parameters were all 0.0 and kex 1e5, both of which result in no exchange. If this is ever
used for an optimisation starting point - which it never should, apart from development, test suite,
and debugging purposes - then the optimisation algorithm will have a very hard time recovering. The
pA parameter has been changed to 0.90 to set it to a reasonable value while still staying far away
from the no exchange condition of pA = 1.0.

This follows from http://article.gmane.org/gmane.science.nmr.relax.devel/5917.

bugman 2014-05-23

changed /trunk/specific_analyses/relax_disp/parameter_object.py
/trunk/specific_analyses/relax_disp/parameter_object.py Diff Switch to side-by-side view
Loading...
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.