MPQC  2.3.1
mp2extrap.h
1 //
2 // mp2extrap.h
3 //
4 // Copyright (C) 1998 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_mbpt_mp2extrap_h
29 #define _chemistry_qc_mbpt_mp2extrap_h
30 
31 #ifdef __GNUC__
32 #pragma interface
33 #endif
34 
35 #include <chemistry/molecule/energy.h>
36 
37 namespace sc {
38 
40  protected:
41  void compute();
42  public:
43  MP2BasisExtrap(const Ref<KeyVal> &);
45  ~MP2BasisExtrap();
46 
48 };
49 
50 }
51 
52 #endif
53 
54 // Local Variables:
55 // mode: c++
56 // c-file-style: "CLJ"
57 // End:
Definition: energy.h:193
Serializes objects that derive from SavableState.
Definition: stateout.h:61
Definition: mp2extrap.h:39
A template class that maintains references counts.
Definition: ref.h:332
Definition: mpqcin.h:13
Restores objects that derive from SavableState.
Definition: statein.h:70
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
void compute()
Recompute at least the results that have compute true and are not already computed.

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