feos-org / feos

FeOs - A Framework for Equations of State and Classical Density Functional Theory

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Improve `Estimator` and `DataSet` objects

g-bauer opened this issue · comments

  • More cost functions
  • Option for normalization (weights, dividing by number (sqrt) of data points per property)
  • Validate inputs of Estimator (check that dimension of data, weights and losses is consistent)
  • Use quantity::si for return values of DataSet::get_input