• Hagen-Henrik Kowalski's avatar
    Added · 944d4f1d
    Hagen-Henrik Kowalski authored
    program_name
    program_version
    configuration_periodic_dimensions
    single_configuration_calculation_to_system_ref
    single_configuration_to_calculation_method_ref
    
    And free energy is now given per atom not per cell
    944d4f1d