LIBINT  2.6.0
GenericGaussDeriv.h
1 /*
2  * Copyright (C) 2004-2019 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_genericgaussderiv_h_
22 #define _libint2_src_lib_libint_genericgaussderiv_h_
23 
24 #include <cstdlib>
25 #include <cassert>
26 #include <libint2.h>
27 #include <util_types.h>
28 #include <libint2/cgshell_ordering.h>
29 
30 namespace libint2 {
31 
36  template <int L,
37  bool vectorize> struct GenericGaussDeriv {
38 
39  static void compute(const Libint_t* inteval,
40  LIBINT2_REALTYPE* target,
41  const LIBINT2_REALTYPE* src0,
42  const LIBINT2_REALTYPE* src1,
43  unsigned int highdim,
44  unsigned int lowdim,
45  unsigned int dir,
46  const LIBINT2_REALTYPE (&two_alpha)[LIBINT2_MAX_VECLEN]
47  );
48  };
49 
50 }; // namespace libint2
51 
52 #endif // header guard
53 
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:35
Defaults definitions for various parameters assumed by Libint.
Definition: algebra.cc:24
builds ( ...
Definition: GenericGaussDeriv.h:37