Homec4science
Diffusion SpecMiCP / ReactMiCP (specmicp_bin) Browse

specmicp/src/dfpmsolver/parabolic_structs.hpp
ed9f62bffad3specmicp_bin

Last Change
Raw File

parabolic_structs.hpp
View Options

/*-------------------------------------------------------
Copyright (c) 2014,2015 Fabien Georget <fabieng@princeton.edu>, Princeton University
All rights reserved.
Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions are met:
* Redistributions of source code must retain the above copyright
notice, this list of conditions and the following disclaimer.
* Redistributions in binary form must reproduce the above copyright
notice, this list of conditions and the following disclaimer in the
documentation and/or other materials provided with the distribution.
* Neither the name of the Princeton University nor the
names of its contributors may be used to endorse or promote products
derived from this software without specific prior written permission.
THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
(INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
---------------------------------------------------------*/
#ifndef SPECMICP_DFPMSOLVER_PARABOLICSTRUCTS_HPP
#define SPECMICP_DFPMSOLVER_PARABOLICSTRUCTS_HPP
#include "driver_structs.hpp"
namespace specmicp {
namespace dfpmsolver {
enum class ParabolicLinesearch
{
Bactracking, // Bactracking linesearch
Strang // Strang Linesearch
};
enum class ParabolicLinesearchReturnCode
{
NotSupposedToHappen,
MaximumIterations,
LambdaTooSmall,
Divergence,
Success
};
//! \brief Options of a parabolic driver
//!
struct ParabolicDriverOptions: public DriverOptions
{
scalar_t alpha; //!< Implicit/Cranck-Nicholson parameter
ParabolicLinesearch linesearch; //!< The linesearch to use
int quasi_newton; //!< Number of iterations without reforming the jacobian
ParabolicDriverOptions():
DriverOptions(),
alpha(1.0),
linesearch(ParabolicLinesearch::Bactracking),
quasi_newton(1)
{}
};
//! \brief Return codes
enum class ParabolicDriverReturnCode
{
LinesearchFailed = -5, //!< Linesearch has failed (usually indicates a bad system)
MaxIterations = -4, //!< Maximum number of iterations reached
MaxStepTakenTooManyTimes = -3, //!< Maximum step taken too many times (divergence)
ErrorLinearSystem = -2, //!< Error when solving the linear system
StationaryPoint = -1, //!< Stationnary points are detected
NotConvergedYet = 0, //!< Problem is not converged
ResidualMinimized = 1, //!< The residual is minimized (Success)
ErrorMinimized = 2 //!< Error is minimized (may be good)
};
//! \brief Performance of the parabolic driver
struct ParabolicDriverPerformance: public DriverPerformance
{
ParabolicDriverReturnCode return_code;
ParabolicDriverPerformance():
DriverPerformance(),
return_code(ParabolicDriverReturnCode::NotConvergedYet)
{}
};
} // end namespace dfpmsolver
} // end namespace specmicp
#endif // SPECMICP_DFPMSOLVER_PARABOLICSTRUCTS_HPP
c4science · Help