Hi Troels, This is a very important change for the dispersion analysis (and to the frame order analysis as well). I have found that the log barrier constraint algorithm was not tuned optimally in the minfx library (https://gna.org/projects/minfx/), and have fixed it upstream (http://article.gmane.org/gmane.science.mathematics.minfx.scm/25). This causes a number of tests to now fail in the trunk, simply due to the better optimisation, which I'll now look at and fix. You should note though that this significantly improves the optimisation problem for many constrained dispersion models! You should have a look at the newest minfx code.
Regards, Edward On 17 June 2014 14:41, Edward d Auvergne <[email protected]> wrote: > Update of bug #22211 (project relax): > > Status: None => Invalid > Open/Closed: Open => Closed > > _______________________________________________________ > > Follow-up Comment #1: > > This is a non-optimal minfx setting for the log barrier constraint algorithm > which has been fixed upstream > (http://article.gmane.org/gmane.science.mathematics.minfx.scm/25). To use the > newest minfx version, either wait for a new relax release, or do the > following: > > 1) Delete the minfx directory in the base relax directory (if there is one). > > 2) In the relax base directory, obtain the newest minfx code using the > subversion command: > > $ svn co http://svn.gna.org/svn/minfx/trunk/minfx > > > Alternatively, if you know how, just install the trunk version of minfx as a > Python package. > > _______________________________________________________ > > Reply to this item at: > > <http://gna.org/bugs/?22211> > > _______________________________________________ > Message sent via/by Gna! > http://gna.org/ > _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
