quantity.targets.init_relative_entropy_target

quantity.targets.init_relative_entropy_target#

init_relative_entropy_target(reference_energy_key, ref_kT=None, gamma=1.0, target=0.0)[source]#

Initializes the computation of a relative entropy.

Parameters:

  • reference_energy_key (str) – Key of the reference potential.

  • ref_kT – Reference temperature. Value of 1.0 corresponds to the relative entropy of information theory.

  • gamma (float) – Scale constant for the target. A positive value maximizes the negative relative entropy.

  • target (float) – Target in the loss.

Return type:

TargetInit

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