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Resolve "DataContainer should include the ensemble macrostate variables as inmutable parameters"

Description

  • Remove ensemble static data from BaseEnsemble._get_ensemble_data and added to the new created BaseEnsemble.ensemble_parameters
  • Ensemble parameter are positionals
  • Added number of atoms to .ensemble_parameters
  • Removed add_parameters
  • Metadata is created in BaseEnsemble and includes seed
  • DataContainer initializes from atoms, ensemble_parameters and metadata
  • Exception is raised when ensemble is loaded from DataContainer file with non-compatible ensemble_parameters

Unittest and docstring have been updated accordingly.

Closes #295 (closed)

Edited by William Armando Munoz

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