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driver_structs.hpp
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rSPECMICP SpecMiCP / ReactMiCP
driver_structs.hpp
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/* =============================================================================
Copyright (c) 2014 - 2016
F. 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:
1. Redistributions of source code must retain the above copyright notice,
this list of conditions and the following disclaimer.
2. 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.
3. Neither the name of the copyright holder 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 HOLDER 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 "specmicp_common/types.hpp"
#include "specmicp_common/sparse_solvers/sparse_solver_structs.hpp"
#define DFPM_DEFAULT_RES_TOL 1e-5
#define DFPM_DEFAULT_ABS_TOL 1e-12
#define DFPM_DEFAULT_STEP_TOL 1e-10
#define DFPM_DEFAULT_TRSHOLD_STATIONARY 1e-4
#define DFPM_DEFAULT_MAX_ITER 200
#define DFPM_DEFAULT_MAX_STEP_LENGTH 1e3
#define DFPM_DEFAULT_MAX_ITER_MAX_LENGTH 50
#define DFPM_DEFAULT_COEFF_ACCEPT_NEWTON 0.9
#define DFPM_DEFAUT_SPARSE_SOLVER specmicp::sparse_solvers::SparseSolver::SparseQR
#define DFPM_DEFAULT_PIVOTS_TRSHOLD -1
// -1 means it is find automatically
namespace
specmicp
{
namespace
dfpmsolver
{
//! \brief Options of a driver
//!
struct
DriverOptions
{
//! Maximum iterations allowed
int
maximum_iterations
{
DFPM_DEFAULT_MAX_ITER
};
//! Maximum number of iterations at maximum step length
int
max_iterations_at_max_length
{
DFPM_DEFAULT_MAX_ITER_MAX_LENGTH
};
//! The sparse solver to use
sparse_solvers
::
SparseSolver
sparse_solver
{
DFPM_DEFAUT_SPARSE_SOLVER
};
//! The threshold for the pivots in the decomposition
scalar_t
sparse_solver_pivots_threshold
{
DFPM_DEFAULT_PIVOTS_TRSHOLD
};
//! Tolerance for the residual
scalar_t
residuals_tolerance
{
DFPM_DEFAULT_RES_TOL
};
//! Absolute tolerance for the residual
scalar_t
absolute_tolerance
{
DFPM_DEFAULT_ABS_TOL
};
//! Tolerance for the minimum step length
scalar_t
step_tolerance
{
DFPM_DEFAULT_STEP_TOL
};
//! if ||R||>threshold, the point is classified as stationary
scalar_t
threshold_stationary_point
{
DFPM_DEFAULT_TRSHOLD_STATIONARY
};
//! Maximum step length allowed
scalar_t
maximum_step_length
{
DFPM_DEFAULT_MAX_STEP_LENGTH
};
//! Accept Newton step if enough progress is made
scalar_t
coeff_accept_newton_step
{
DFPM_DEFAULT_COEFF_ACCEPT_NEWTON
};
DriverOptions
()
{}
};
//! \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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