types.h Source File

00001 //
00002 // types.h
00003 //
00004 // Copyright (C) 1996 Limit Point Systems, Inc.
00005 //
00006 // Author: Curtis Janssen <cljanss@limitpt.com>
00007 // Maintainer: LPS
00008 //
00009 // This file is part of the SC Toolkit.
00010 //
00011 // The SC Toolkit is free software; you can redistribute it and/or modify
00012 // it under the terms of the GNU Library General Public License as published by
00013 // the Free Software Foundation; either version 2, or (at your option)
00014 // any later version.
00015 //
00016 // The SC Toolkit is distributed in the hope that it will be useful,
00017 // but WITHOUT ANY WARRANTY; without even the implied warranty of
00018 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
00019 // GNU Library General Public License for more details.
00020 //
00021 // You should have received a copy of the GNU Library General Public License
00022 // along with the SC Toolkit; see the file COPYING.LIB.  If not, write to
00023 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
00024 //
00025 // The U.S. Government is granted a limited license as per AL 91-7.
00026 //
00027 
00028 #ifndef _chemistry_qc_intv3_types_h
00029 #define _chemistry_qc_intv3_types_h
00030 
00031 #include <chemistry/qc/basis/gaussbas.h>
00032 
00033 namespace sc {
00034 
00035 /* Types that are used for integrals, but for which we don't need all
00036  * of the sgen utilities, are defined here. */
00037 
00038 class der_centersv3_t {
00039   public:
00040     int n;
00041     GaussianBasisSet *cs[4];
00042     int num[4];
00043     GaussianBasisSet *ocs; /* The omitted center's centers_t. */
00044     int onum;        /* The omitted center's number. */
00045 };
00046 
00047 }
00048 
00049 #endif
00050 
00051 // Local Variables:
00052 // mode: c++
00053 // c-file-style: "CLJ"
00054 // End: