GQCP
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NonLinearEquationEnvironment.hpp
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1// This file is part of GQCG-GQCP.
2//
3// Copyright (C) 2017-2020 the GQCG developers
4//
5// GQCG-GQCP is free software: you can redistribute it and/or modify
6// it under the terms of the GNU Lesser 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// GQCG-GQCP 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 Lesser General Public License for more details.
14//
15// You should have received a copy of the GNU Lesser General Public License
16// along with GQCG-GQCP. If not, see <http://www.gnu.org/licenses/>.
17
18#pragma once
19
20
23
24
25namespace GQCP {
26
27
33template <typename _Scalar>
35 public OptimizationEnvironment<VectorX<_Scalar>> {
36
37public:
38 using Scalar = _Scalar;
39
40
41public:
42 VectorFunction<Scalar> f; // a callable function that produces a vector function that represents the system of equations at the given variables
43 MatrixFunction<Scalar> J; // a callable function that produces a matrix that represents the Jacobian of the system of equations at the given variables
44
45
46public:
47 /*
48 * CONSTRUCTORS
49 */
50
59 OptimizationEnvironment<VectorX<_Scalar>>(initial_guess),
60 f {f},
61 J {J} {}
62};
63
64
65} // namespace GQCP
Definition: Matrix.hpp:47
Definition: NonLinearEquationEnvironment.hpp:35
_Scalar Scalar
Definition: NonLinearEquationEnvironment.hpp:38
NonLinearEquationEnvironment(const VectorX< _Scalar > &initial_guess, const VectorFunction< Scalar > &f, const MatrixFunction< Scalar > &J)
Definition: NonLinearEquationEnvironment.hpp:58
VectorFunction< Scalar > f
Definition: NonLinearEquationEnvironment.hpp:42
MatrixFunction< Scalar > J
Definition: NonLinearEquationEnvironment.hpp:43
Definition: OptimizationEnvironment.hpp:33
Definition: BaseOneElectronIntegralBuffer.hpp:25
std::function< VectorX< Scalar >(const VectorX< Scalar > &)> VectorFunction
Definition: Matrix.hpp:485
std::function< MatrixX< Scalar >(const VectorX< Scalar > &)> MatrixFunction
Definition: Matrix.hpp:488