SmartEquilibriumOptions.hpp

// Reaktoro is a unified framework for modeling chemically reactive systems.
//
// Copyright © 2014-2024 Allan Leal
//
// This library is free software; you can redistribute it and/or
// modify it under the terms of the GNU Lesser General Public
// License as published by the Free Software Foundation; either
// version 2.1 of the License, or (at your option) any later version.
//
// This library is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
// Lesser General Public License for more details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with this library. If not, see <http://www.gnu.org/licenses/>.
 
#pragma once
 
// Reaktoro includes
#include <Reaktoro/Equilibrium/EquilibriumOptions.hpp>
 
namespace Reaktoro {
 
struct SmartEquilibriumOptions
{
    EquilibriumOptions learning;
 
    double reltol_negative_amounts = -1.0e-14;
 
    double reltol = 0.005;
 
    double abstol = 0.01;
 
    double temperature_step = 10.0;
 
    double pressure_step = 25.0e+5;
};
 
} // namespace Reaktoro