MPQC 2.3.1
types.h
1//
2// types.h
3//
4// Copyright (C) 1996 Limit Point Systems, Inc.
5//
6// Author: Curtis Janssen <cljanss@limitpt.com>
7// Maintainer: LPS
8//
9// This file is part of the SC Toolkit.
10//
11// The SC Toolkit is free software; you can redistribute it and/or modify
12// it under the terms of the GNU Library General Public License as published by
13// the Free Software Foundation; either version 2, or (at your option)
14// any later version.
15//
16// The SC Toolkit is distributed in the hope that it will be useful,
17// but WITHOUT ANY WARRANTY; without even the implied warranty of
18// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19// GNU Library General Public License for more details.
20//
21// You should have received a copy of the GNU Library General Public License
22// along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24//
25// The U.S. Government is granted a limited license as per AL 91-7.
26//
27
28#ifndef _chemistry_qc_intv3_types_h
29#define _chemistry_qc_intv3_types_h
30
31#include <chemistry/qc/basis/gaussbas.h>
32
33namespace sc {
34
35/* Types that are used for integrals, but for which we don't need all
36 * of the sgen utilities, are defined here. */
37
39 public:
40 int n;
41 GaussianBasisSet *cs[4];
42 int num[4];
43 GaussianBasisSet *ocs; /* The omitted center's centers_t. */
44 int onum; /* The omitted center's number. */
45};
46
47}
48
49#endif
50
51// Local Variables:
52// mode: c++
53// c-file-style: "CLJ"
54// End:
The GaussianBasisSet class is used describe a basis set composed of atomic gaussian orbitals.
Definition gaussbas.h:146
Definition types.h:38

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