GQCP
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BaseVectorPrimitiveIntegralEngine.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
33public:
34protected:
35 // The component over which the primitive engine is prepared to calculate integrals.
37
38
39public:
40 /*
41 * MARK: Constructors
42 */
43
50
51
52 /*
53 * MARK: Destructor
54 */
55
60
61
62 /*
63 * MARK: Components
64 */
65
66 // The number of components the operator has. For a vector operator, this is equal to 3.
67 static constexpr size_t Components = 3;
68
76 void prepareStateForComponent(const size_t component);
77};
78
79
80} // namespace GQCP
Definition: BaseVectorPrimitiveIntegralEngine.hpp:32
static constexpr size_t Components
Definition: BaseVectorPrimitiveIntegralEngine.hpp:67
void prepareStateForComponent(const size_t component)
Definition: BaseVectorPrimitiveIntegralEngine.cpp:60
virtual ~BaseVectorPrimitiveIntegralEngine()=0
Definition: BaseVectorPrimitiveIntegralEngine.cpp:46
CartesianDirection component
Definition: BaseVectorPrimitiveIntegralEngine.hpp:36
Definition: BaseOneElectronIntegralBuffer.hpp:25
CartesianDirection
Definition: CartesianDirection.hpp:27
@ x
Definition: CartesianDirection.hpp:28