This PR adds new Solution classes that internally minimize the Gibbs energy over user-defined compositional vectors. This can be useful, for example, to determine the equilibrium state of order in a phase, or the relative amounts of high and low spin iron.
Second derivatives of the Gibbs energy are recalculated to take the relaxation into account.
This PR adds new Solution classes that internally minimize the Gibbs energy over user-defined compositional vectors. This can be useful, for example, to determine the equilibrium state of order in a phase, or the relative amounts of high and low spin iron.
Second derivatives of the Gibbs energy are recalculated to take the relaxation into account.