LIBINT  2.1.0-stable
GenericGaussDeriv.h
1 /*
2  * This file is a part of Libint.
3  * Copyright (C) 2004-2014 Edward F. Valeev
4  *
5  * This program is free software: you can redistribute it and/or modify
6  * it under the terms of the GNU Library General Public License, version 2,
7  * as published by the Free Software Foundation.
8  *
9  * This program is distributed in the hope that it will be useful,
10  * but WITHOUT ANY WARRANTY; without even the implied warranty of
11  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
12  * GNU General Public License for more details.
13  *
14  * You should have received a copy of the GNU Library General Public License
15  * along with this program. If not, see http://www.gnu.org/licenses/.
16  *
17  */
18 
19 #ifndef _libint2_src_lib_libint_genericgaussderiv_h_
20 #define _libint2_src_lib_libint_genericgaussderiv_h_
21 
22 #include <cstdlib>
23 #include <cassert>
24 #include <libint2.h>
25 #include <util_types.h>
26 #include <libint2/cgshell_ordering.h>
27 
28 namespace libint2 {
29 
34  template <int L,
35  bool vectorize> struct GenericGaussDeriv {
36 
37  static void compute(const Libint_t* inteval,
38  LIBINT2_REALTYPE* target,
39  const LIBINT2_REALTYPE* src0,
40  const LIBINT2_REALTYPE* src1,
41  unsigned int highdim,
42  unsigned int lowdim,
43  unsigned int dir,
44  const LIBINT2_REALTYPE (&two_alpha)[LIBINT2_MAX_VECLEN]
45  );
46  };
47 
48 }; // namespace libint2
49 
50 #endif // header guard
51 
static void compute(const Libint_t *inteval, LIBINT2_REALTYPE *target, const LIBINT2_REALTYPE *src0, const LIBINT2_REALTYPE *src1, unsigned int highdim, unsigned int lowdim, unsigned int dir, const LIBINT2_REALTYPE(&two_alpha)[LIBINT2_MAX_VECLEN])
builds ( ...
Definition: GenericGaussDeriv.impl.h:33
Defaults definitions for various parameters assumed by Libint.
Definition: algebra.cc:23
builds ( ...
Definition: GenericGaussDeriv.h:35
Definition: test_eri_rys.cc:46