Hi,
I am using the full_analysis.py script and got an intriguing warning in
the "final" step. It seems there is a problem with the setting of the
constraints for the minimise() function during monte carlo simulations...
==
relax> minimise(*args=('newton',), run='final', func_to
Hi Seb,
That's an interesting one. That message is a debugging statement that
should only be triggered if someone goes into the relax source code
and tries to reprogram the constraints algorithm or tries to implement
a completely new algorithm. It shouldn't appear in the 1.2 stable
releases and
Hi Ed,
I posted a bug report. As you will see, I found also the problem in
normal optimization at the end of each round for the 4 diffusion models
(sphere, prolate, oblate and ellipsoid)...
Also, I used the normal minimise library. After reading your mail, I
tried to use the minfx library as
Hi again,
I just ran a test with the minfx library instead of the "minimise"
directory, even though the test-suite fails for the two last model-free
tests.
As expected, the script failed when it reached the minimise() function...
===
relax> minimise(*args=('newton',)
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