Re: [bug #22211] The 'LM63 3-site' relaxation dispersion model optimisation is not perfect. -- June 17, 2014

Is that version 1.0.6 ?

Or is it newer?


2014-06-17 14:48 GMT+02:00 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:

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

    _______________________________________________________

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>

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Re: [bug #22211] The 'LM63 3-site' relaxation dispersion model optimisation is not perfect.

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