MPQC 3.0.0-alpha
Loading...
Searching...
No Matches
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
31namespace mpqc {
32namespace 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 */
Contains new MPQC code since version 3.
Definition integralenginepool.hpp:37
Definition shell.hpp:38
Definition range.hpp:25

Generated at Wed Sep 25 2024 02:45:30 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.12.0.