Psi4
LYP_Cfunctional.h
Go to the documentation of this file.
1 /*
2  * @BEGIN LICENSE
3  *
4  * Psi4: an open-source quantum chemistry software package
5  *
6  * Copyright (c) 2007-2017 The Psi4 Developers.
7  *
8  * The copyrights for code used from other parties are included in
9  * the corresponding files.
10  *
11  * This program is free software; you can redistribute it and/or modify
12  * it under the terms of the GNU General Public License as published by
13  * the Free Software Foundation; either version 2 of the License, or
14  * (at your option) any later version.
15  *
16  * This program 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 General Public License for more details.
20  *
21  * You should have received a copy of the GNU General Public License along
22  * with this program; if not, write to the Free Software Foundation, Inc.,
23  * 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
24  *
25  * @END LICENSE
26  */
27 
28 #ifndef LYP_C_MATLAB_FUNCTIONAL_H
29 #define LYP_C_MATLAB_FUNCTIONAL_H
30 
31 #include "functional.h"
32 
33 namespace psi {
34 
39 class LYP_CFunctional : public Functional {
40 
41 public:
42 
44  virtual ~LYP_CFunctional();
45  virtual void compute_functional(const std::map<std::string,SharedVector>& in, const std::map<std::string,SharedVector>& out, int npoints, int deriv, double alpha);
46 
47 };
48 
49 }
50 
51 #endif
Definition: LYP_Cfunctional.h:39
virtual ~LYP_CFunctional()
Definition: LYP_Cfunctional.cc:53
Definition: functional.h:48
LYP_CFunctional()
Definition: LYP_Cfunctional.cc:37
double alpha() const
Definition: functional.h:126
virtual void compute_functional(const std::map< std::string, SharedVector > &in, const std::map< std::string, SharedVector > &out, int npoints, int deriv, double alpha)
Definition: LYP_Cfunctional.cc:56