Psi4
occ/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 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 DEFINES_
29 #define DEFINES_
30 
31 #define ID(x) ints->DPD_ID(x)
32 
33 #define index2(i,j) ((i>j) ? ((i*(i+1)/2)+j) : ((j*(j+1)/2)+i))
34 #define index4(i,j,k,l) index2(index2(i,j),index2(k,l))
35 
36 #define MIN0(a,b) (((a)<(b)) ? (a) : (b))
37 #define MAX0(a,b) (((a)>(b)) ? (a) : (b))
38 
39 #define DIIS_MIN_DET 1.0E-16
40 #define DIVERGE 1.0E+3
41 
42 #endif /* DEFINES_ */