LIBINT 2.9.0
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
29namespace libint2 {
36enum 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_*/
Defaults definitions for various parameters assumed by Libint.
Definition algebra.cc:24
BraKet
types of shell sets supported by Engine, in chemist notation (i.e.
Definition include/libint2/braket.h:36