LIBINT
2.9.0
include
libint2
include/libint2/braket.h
1
/*
2
* Copyright (C) 2004-2024 Edward F. Valeev
3
*
4
* This file is part of Libint library.
5
*
6
* Libint library is free software: you can redistribute it and/or modify
7
* it under the terms of the GNU Lesser General Public License as published by
8
* the Free Software Foundation, either version 3 of the License, or
9
* (at your option) any later version.
10
*
11
* Libint library is distributed in the hope that it will be useful,
12
* but WITHOUT ANY WARRANTY; without even the implied warranty of
13
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
14
* GNU Lesser General Public License for more details.
15
*
16
* You should have received a copy of the GNU Lesser General Public License
17
* along with Libint library. If not, see <http://www.gnu.org/licenses/>.
18
*
19
*/
20
21
#ifndef _libint2_include_braket_h_
22
#define _libint2_include_braket_h_
23
24
#include <libint2/util/cxxstd.h>
25
#if LIBINT2_CPLUSPLUS_STD < 2011
26
#error "The simple Libint API requires C++11 support"
27
#endif
28
29
namespace
libint2
{
36
enum class
BraKet
{
37
x_x = 0,
38
xx_xx,
39
xs_xx,
40
xx_xs,
41
xs_xs,
42
invalid = -1,
43
first_1body_braket = x_x,
44
last_1body_braket = x_x,
45
first_2body_braket = xx_xx,
46
last_2body_braket = xs_xs,
47
first_braket = first_1body_braket,
48
last_braket = last_2body_braket
49
};
50
51
}
// namespace libint2
52
53
#endif
/* _libint2_include_braket_h_*/
libint2
Defaults definitions for various parameters assumed by Libint.
Definition
algebra.cc:24
libint2::BraKet
BraKet
types of shell sets supported by Engine, in chemist notation (i.e.
Definition
include/libint2/braket.h:36
Generated by
1.10.0