Reaktoro  A unified framework for modeling chemically reactive systems
Hessian.hpp
1 // Reaktoro is a unified framework for modeling chemically reactive systems.
2 //
3 // Copyright (C) 2014-2015 Allan Leal
4 //
5 // This program is free software: you can redistribute it and/or modify
6 // it under the terms of the GNU General Public License as published by
7 // the Free Software Foundation, either version 3 of the License, or
8 // (at your option) any later version.
9 //
10 // This program is distributed in the hope that it will be useful,
11 // but WITHOUT ANY WARRANTY; without even the implied warranty of
12 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13 // GNU General Public License for more details.
14 //
15 // You should have received a copy of the GNU General Public License
16 // along with this program. If not, see <http://www.gnu.org/licenses/>.
17
18 #pragma once
19
20 // Reaktoro includes
21 #include <Reaktoro/Math/Matrix.hpp>
22
23 namespace Reaktoro {
24
26 struct Hessian
27 {
29  enum Mode { Dense, Diagonal, Inverse };
30
39  Mode mode = Dense;
40
43
46
49 };
50
52 auto operator*(const Hessian& H, const Vector& x) -> Vector;
53
54 } // namespace Reaktoro
Eigen::MatrixXd Matrix
Define an alias to the matrix type of the Eigen library.
Definition: Matrix.hpp:387
Matrix inverse
The Hessian matrix represented through its inverse.
Definition: Hessian.hpp:42
Matrix dense
The Hessian matrix represented as a dense matrix.
Definition: Hessian.hpp:45
Mode mode
The mode of the Hessian.
Definition: Hessian.hpp:39
Eigen::VectorXd Vector
Define an alias to the vector type of the Eigen library.
Definition: Matrix.hpp:384
Mode
An enumeration of possible modes for an Hessian representation.
Definition: Hessian.hpp:29
Vector diagonal
The Hessian matrix represented as a diagonal matrix.
Definition: Hessian.hpp:48
A type to describe the Hessian of an objective function.
Definition: Hessian.hpp:26
The namespace containing all components of the Reaktoro library.
Definition: ChemicalScalar.hpp:24