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random_bonds
Julien Steffen edited this page May 3, 2023
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random_bonds [value1] [value2] (optional)
default: 1.0 30.0
Sets the borders within starting values of entries of the alpha parameter vector are spawned for the optimization of EVB coupling parameters with evbopt
. For each local Levenberg-Marquardt step, the vector is filled again.
Larger intervals might lead to better results but also to slower convergence (and maybe numerical instabilities, linear dependencies etc.)
For DG-EVB, the lower value cannot be lower than 0.0! (else, divergences would occur)
Needs to be part of the opt_settings
section.
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