MPQC  3.0.0-alpha
shell.hpp
1 //
2 // shell.hpp
3 //
4 // Copyright (C) 2013 Drew Lewis and Andrey Asadchev
5 //
6 // Authors: Drew Lewis
7 // Maintainer: Drew Lewis and Edward Valeev
8 //
9 // This file is part of the MPQC Toolkit.
10 //
11 // The MPQC 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 MPQC 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 MPQC 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 MPQC_INTEGRALS_SHELL_HPP
29 #define MPQC_INTEGRALS_SHELL_HPP
30 
31 namespace mpqc {
32 namespace lcao {
33 
38  struct Shell : range {
39  Shell(int index, range r) : range(r), index_(index) {}
40  int index() const {
41  return index_;
42  }
43  private:
44  int index_;
45  };
46 
47 } // namespace integrals
48 } // namespace mpqc
49 
50 
51 #endif /* MPQC_INTEGRALS_SHELL_HPP */
mpqc
Contains new MPQC code since version 3.
Definition: integralenginepool.hpp:37
mpqc::range
Definition: range.hpp:23
mpqc::lcao::Shell
Definition: shell.hpp:38

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