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_tol=1e-25,
max_iterations=10000000, constraints=1, scaling=1, print_flag=1)
Simulation 1
The constraints have been incorrectly supplied.
Simulation 2
The constraints have been incorrectly supplied.
...
==================
This problem arises for every single simulation.
Is this a serious problem ? Will the simulated errors be erroneous or is
this just a warning ?
Does anyone have a clue about the reason for that ?
Thanks !
Sébastien :)
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