This pull request improves Optima's algorithm by enabling conservative Newton steps (i.e., stepping along the original Newton direction rather than deviating from it when bounds are violated).
These improvements were necessary as some calculations in Reaktoro proved difficult to converge otherwise. For example, chemical equilibrium calculations involving water and minerals gypsum and anhydrite.
This pull request improves Optima's algorithm by enabling conservative Newton steps (i.e., stepping along the original Newton direction rather than deviating from it when bounds are violated).
These improvements were necessary as some calculations in Reaktoro proved difficult to converge otherwise. For example, chemical equilibrium calculations involving water and minerals gypsum and anhydrite.