Psi4
dcft/defines.h
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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 file is part of Psi4.
12  *
13  * Psi4 is free software; you can redistribute it and/or modify
14  * it under the terms of the GNU Lesser General Public License as published by
15  * the Free Software Foundation, version 3.
16  *
17  * Psi4 is distributed in the hope that it will be useful,
18  * but WITHOUT ANY WARRANTY; without even the implied warranty of
19  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
20  * GNU Lesser General Public License for more details.
21  *
22  * You should have received a copy of the GNU Lesser General Public License along
23  * with Psi4; if not, write to the Free Software Foundation, Inc.,
24  * 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
25  *
26  * @END LICENSE
27  */
28 
29 #ifndef _DEFINES_H
30 #define _DEFINES_H
31 
32 #define GIT_ID "d12f233900069eb274854278e3aa1c733c34c9e6"
33 
34 #define PSIF_DCFT_DPD 100
35 #define PSIF_DCFT_DENSITY 101
36 #define PRINT_ENERGY_COMPONENTS 0
37 #define ZERO 1.0E-16
38 
39 #define ID(x) _ints->DPD_ID(x)
40 
41 #ifndef INDEX
42 #define INDEX(i,j) (((i)>(j)) ? (((i)*((i)+1)/2)+(j)) : (((j)*((j)+1)/2)+(i)))
43 #endif
44 
45 #endif /* _DEFINES_H */