GQCP
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BaseMatrixPrimitiveIntegralEngine.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
22
23#include <cstddef>
24
25
26namespace GQCP {
27
28
33protected:
34 // The component over which the primitive engine is prepared to calculate integrals.
36
37
38public:
39 /*
40 * MARK: Constructors
41 */
42
49
50
51 /*
52 * MARK: Destructor
53 */
54
59
60
61 /*
62 * MARK: Components
63 */
64
65 // The number of components the operator has. For a scalar operator, this is equal to 9.
66 static constexpr size_t Components = 9;
67
75 void prepareStateForComponent(const size_t component);
76};
77
78
79} // namespace GQCP
Definition: BaseMatrixPrimitiveIntegralEngine.hpp:32
DyadicCartesianDirection component
Definition: BaseMatrixPrimitiveIntegralEngine.hpp:35
void prepareStateForComponent(const size_t component)
Definition: BaseMatrixPrimitiveIntegralEngine.cpp:60
virtual ~BaseMatrixPrimitiveIntegralEngine()=0
Definition: BaseMatrixPrimitiveIntegralEngine.cpp:46
static constexpr size_t Components
Definition: BaseMatrixPrimitiveIntegralEngine.hpp:66
Definition: BaseOneElectronIntegralBuffer.hpp:25
DyadicCartesianDirection
Definition: DyadicCartesianDirection.hpp:27
@ xx
Definition: DyadicCartesianDirection.hpp:28