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luigibonati / mlcolvar

A unified framework for machine learning collective variables for enhanced sampling simulations
MIT License
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Set default activation of committor model back to tanh #138

Closed EnricoTrizio closed 2 months ago

EnricoTrizio commented 3 months ago

After #135, the activation of hidden layers of the Committor class is no longer set to tanh as the default, which should be the proper choice.

For the moment, this can be circumvented by setting 

options = { 'nn' : { 'activation' : 'tanh' }}
model = Committor(..., options=options, ...)

This should be fixed soon.