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
37namespace sc {
38
40 protected:
41 void compute();
42 public:
46
48};
49
50}
51
52#endif
53
54// Local Variables:
55// mode: c++
56// c-file-style: "CLJ"
57// End:
Definition: mp2extrap.h:39
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.
A template class that maintains references counts.
Definition: ref.h:332
Restores objects that derive from SavableState.
Definition: statein.h:70
Serializes objects that derive from SavableState.
Definition: stateout.h:61
Definition: energy.h:193

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