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
<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
Update of bug #22211 (project relax):
Status: None => Invalid
Open/Closed: Open => Closed
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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.
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Re: [bug #22211] The 'LM63 3-site' relaxation dispersion model optimisation is not perfect.