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Richard Otis statement of equilibrium problem
over 8 years ago
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# Numerical Approach
The general numerical method used by pycalphad to compute equilibrium is Newton-Raphson with the BFGS method used to update an approximate Hessian at each iteration.
The general Gibbs energy minimization problem can be stated in the following way.
\[
\textrm{min } G_m(T, P, f^i, y^i_{s, j}) \textrm{ where } c_k (T, P, f^i, y^i_{s, j}) = 0
\]