MPQC
3.0.0-alpha
types.h
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//
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// types.h
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//
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// Copyright (C) 1996 Limit Point Systems, Inc.
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//
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// Author: Curtis Janssen <cljanss@limitpt.com>
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// Maintainer: LPS
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//
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// This file is part of the SC Toolkit.
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//
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// The SC Toolkit is free software; you can redistribute it and/or modify
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// it under the terms of the GNU Library General Public License as published by
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// the Free Software Foundation; either version 2, or (at your option)
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// any later version.
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//
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// The SC Toolkit is distributed in the hope that it will be useful,
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// but WITHOUT ANY WARRANTY; without even the implied warranty of
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// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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// GNU Library General Public License for more details.
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//
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// You should have received a copy of the GNU Library General Public License
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// along with the SC Toolkit; see the file COPYING.LIB. If not, write to
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// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
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//
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// The U.S. Government is granted a limited license as per AL 91-7.
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//
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#ifndef _chemistry_qc_intv3_types_h
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#define _chemistry_qc_intv3_types_h
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#include <chemistry/qc/basis/gaussbas.h>
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namespace
sc
{
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/* Types that are used for integrals, but for which we don't need all
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* of the sgen utilities, are defined here. */
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class
der_centersv3_t
{
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public
:
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int
n;
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GaussianBasisSet
*cs[4];
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int
num[4];
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GaussianBasisSet
*ocs;
/* The omitted center's centers_t. */
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int
onum;
/* The omitted center's number. */
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};
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}
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#endif
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// Local Variables:
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// mode: c++
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// c-file-style: "CLJ"
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// End:
sc::der_centersv3_t
Definition:
types.h:38
sc::GaussianBasisSet
The GaussianBasisSet class is used describe a basis set composed of atomic gaussian orbitals.
Definition:
gaussbas.h:141
sc
Contains all MPQC code up to version 3.
Definition:
mpqcin.h:14
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