MPQC  3.0.0-alpha
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 
40 namespace sc {
41 
42 ForceLink<PsiCLHF> psi_force_link_a_;
43 ForceLink<PsiHSOSHF> psi_force_link_b_;
44 ForceLink<PsiUHF> psi_force_link_c_;
45 ForceLink<PsiCCSD> psi_force_link_d_;
46 ForceLink<PsiCCSD_T> psi_force_link_e_;
47 ForceLink<PsiRASCI> psi_force_link_h_;
48 ForceLink<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
sc
Contains all MPQC code up to version 3.
Definition: mpqcin.h:14

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