gap_hyperparameter_constructor

gap_hyperparameter_constructor#

autoplex.fitting.common.utils.gap_hyperparameter_constructor(gap_parameter_dict, include_two_body=False, include_three_body=False, include_soap=False)[source]#

Construct a list of arguments needed to execute gap potential from the parameters’ dict.

Parameters:

  • gap_parameter_dict (dict.) – dictionary with gap hyperparameters.

  • include_two_body (bool.) – bool indicating whether to include two-body hyperparameters

  • include_three_body (bool.) – bool indicating whether to include three-body hyperparameters

  • include_soap (bool.) – bool indicating whether to include soap hyperparameters

Returns:

gap fit input parameter string.

Return type:

list