Revive PhaseEquilibrium::new_npt in the public interface#164
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g-bauer
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Jul 7, 2023
| /// | ||
| /// The constructor can be used in custom phase equilibrium solvers or, | ||
| /// e.g., to generate initial guesses for an actual VLE solver. | ||
| /// In general, the two states generated are NOT in an equilibrium. |
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To make this even more visible, we could add a header, i.e.
/// # Note
///
/// In general, the two states generated are NOT in an equilibrium.
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Currently there is no way to create a
PhaseEquilibriumobject without calling any of the solvers. Some solvers (e.g., the tp flash), however, use aPhaseEquilibriumas initialization. Therefore thenew_nptfunction can be used to create custom initial guesses. Currently the docstring informs the users that the result is not a phase equilibrium, but I would not be surprised if someone uses the function with the assumption that it is a (much faster and better converging) tp flash.