GQCP
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OptimizationEnvironment.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
21#include <deque>
22
23
24namespace GQCP {
25
26
32template <typename _Iterate>
34public:
35 using Iterate = _Iterate;
36 using Scalar = typename Iterate::Scalar;
37
38
39public:
40 std::deque<_Iterate> variables; // a collection of variables that iteratively grows through an optimization algorithm; for example all iterates x when solving f(x) = 0 iteratively
41
42
43public:
44 /*
45 * CONSTRUCTORS
46 */
47
53 OptimizationEnvironment(const Iterate& initial_guess) :
54 variables {initial_guess} {}
55};
56
57
58} // namespace GQCP
Definition: OptimizationEnvironment.hpp:33
_Iterate Iterate
Definition: OptimizationEnvironment.hpp:35
OptimizationEnvironment(const Iterate &initial_guess)
Definition: OptimizationEnvironment.hpp:53
typename Iterate::Scalar Scalar
Definition: OptimizationEnvironment.hpp:36
std::deque< _Iterate > variables
Definition: OptimizationEnvironment.hpp:40
Definition: BaseOneElectronIntegralBuffer.hpp:25