LIBINT 2.7.2
cxxapi.h
1/*
2 * Copyright (C) 2004-2021 Edward F. Valeev
3 *
4 * This file is part of Libint.
5 *
6 * Libint 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 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. If not, see <http://www.gnu.org/licenses/>.
18 *
19 */
20
21#ifndef _libint2_src_lib_libint_cxxapi_h_
22#define _libint2_src_lib_libint_cxxapi_h_
23
24#include <libint2/util/cxxstd.h>
25#if LIBINT2_CPLUSPLUS_STD < 2011
26# error "Libint2 C++ API requires C++11 support"
27#endif
28
29#include <libint2.h> // NB this loads libint2/config.h
30
31#ifdef LIBINT_USER_DEFINED_REAL
32# error "C++11 API does not support with user-defined real types yet; omit --with-real-type when configuring"
33#endif
34
35#if !defined(INCLUDE_ONEBODY) || !(defined(INCLUDE_ERI) || defined(INCLUDE_ERI3) || defined(INCLUDE_ERI2))
36# error "C++ API is only supported if both 1-body and some (eri, eri3, eri2) 2-body integrals are enabled"
37#endif
38
39#include <libint2/initialize.h>
40#include <libint2/chemistry/elements.h>
41#include <libint2/atom.h>
42#include <libint2/basis.h>
43#include <libint2/solidharmonics.h>
44
45#include <libint2/engine.h> // this is the end-user stuff, needs to check if library is initialized
46
47#endif /* _libint2_src_lib_libint_cxxapi_h_ */
48