Improve `Estimator` and `DataSet` objects

feos-org / feos

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

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Open g-bauer opened 9 months ago

g-bauer commented 9 months ago

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