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driver_structs.hpp
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rSPECMICP SpecMiCP / ReactMiCP
driver_structs.hpp
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/*-------------------------------------------------------
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_DRIVERSTRUCTS_HPP
#define SPECMICP_DFPMSOLVER_DRIVERSTRUCTS_HPP
#include "common.hpp"
#include "utils/sparse_solvers/sparse_solver_structs.hpp"
namespace
specmicp
{
namespace
dfpmsolver
{
//! \brief Options of a driver
//!
struct
DriverOptions
{
scalar_t
residuals_tolerance
;
//!< Tolerance for the residual
scalar_t
absolute_tolerance
;
//!< Absolute tolerance for the residual
scalar_t
step_tolerance
;
//!< Tolerance for the minimum step length
scalar_t
threshold_stationary_point
;
//!< if ||R||>threshold, the point is classified as stationary
int
maximum_iterations
;
//!< Maximum iterations allowed
scalar_t
maximum_step_length
;
//!< Maximum step length allowed
int
max_iterations_at_max_length
;
//!< Maximum number of iterations at maximum step length
scalar_t
coeff_accept_newton_step
;
//!< Accept Newton step if enough progress is made
sparse_solvers
::
SparseSolver
sparse_solver
;
//!< The sparse solver to use
DriverOptions
()
:
residuals_tolerance
(
5e-5
),
absolute_tolerance
(
1e-12
),
step_tolerance
(
1e-10
),
threshold_stationary_point
(
1e-4
),
maximum_iterations
(
200
),
maximum_step_length
(
1e3
),
max_iterations_at_max_length
(
50
),
coeff_accept_newton_step
(
0.9
),
sparse_solver
(
sparse_solvers
::
SparseSolver
::
SparseQR
)
{}
};
//! \brief Performance of a driver
struct
DriverPerformance
{
int
nb_call_residuals
;
int
nb_call_jacobian
;
int
nb_iterations
;
int
nb_consecutive_max_step_taken
;
int
nb_max_step_taken
;
bool
maximum_step_taken
;
scalar_t
current_residual
;
scalar_t
absolute_residual
;
scalar_t
current_update
;
DriverPerformance
()
:
nb_call_residuals
(
0
),
nb_call_jacobian
(
0
),
nb_iterations
(
0
),
nb_consecutive_max_step_taken
(
0
),
nb_max_step_taken
(
0
),
maximum_step_taken
(
0
),
current_residual
(
0.0
),
absolute_residual
(
0.0
),
current_update
(
0.0
)
{}
};
}
// end namespace dfpmsolver
}
// end namespace specmicp
#endif
// SPECMICP_DFPMSOLVER_DRIVERSTRUCTS_HPP
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