MPQC 3.0.0-alpha
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linkage.h
1//
2// linkage.h
3//
4// Copyright (C) 1996 Limit Point Systems, Inc.
5//
6// Author: Edward Seidl <seidl@janed.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_psi_linkage_h
29#define _chemistry_qc_psi_linkage_h
30
31#include <stdio.h>
32#include <mpqc_config.h>
33#include <chemistry/qc/psi/psiwfn.h>
34#include <chemistry/qc/psi/psicc.h>
35#include <chemistry/qc/psi/psici.h>
36#include <chemistry/qc/psi/psicc_pt2r12.h>
37#include <chemistry/qc/psi/psirdm.h>
38#include <math/optimize/qnewton.h>
39
40namespace sc {
41
42ForceLink<PsiCLHF> psi_force_link_a_;
43ForceLink<PsiHSOSHF> psi_force_link_b_;
44ForceLink<PsiUHF> psi_force_link_c_;
45ForceLink<PsiCCSD> psi_force_link_d_;
46ForceLink<PsiCCSD_T> psi_force_link_e_;
47ForceLink<PsiRASCI> psi_force_link_h_;
48ForceLink<PsiRDMTwo> psi_force_link_j_;
49#ifdef HAVE_LIBINT2
50 ForceLink<PsiCC_PT2R12> psi_force_link_f_;
51 ForceLink<PsiCCSD_PT2R12T> psi_force_link_g_;
52#endif
53
54}
55
56#endif
Contains all MPQC code up to version 3.
Definition mpqcin.h:14

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