pele.potentials.MLCost.get_error_estimate

MLCost.get_error_estimate(opt_parameters, log_l_variation=0.5)

Get confidence interval on ML estimated parameters.

Parameters:

opt_parametersarray of floats

The optimum parameters as obtained from the ML method.

log_l_variationfloat, optional

The variation in the log-likelihood upon changing the values of the parameters within the confidence interval: log_likelihood(interval[0]) <= log_likelihood(opt_parameters) - log_l_variation log_likelihood(interval[1]) <= log_likelihood(opt_parameters) - log_l_variation

Examples

To get an estimate on the confidence interval of the optimum parameters, do e.g.:

error = pot.get_error_estimate(result)