Psi4
dfocc/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.
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28 
29 #ifndef DEFINES_
30 #define DEFINES_
31 
32 #define ID(x) ints->DPD_ID(x)
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 #define index3(i,j,k) (i*(i+1)*(i+2)/6) + (j*(j+1)/2) + i
36 #define idx2(i,j,Nj) j + (i*Nj)
37 #define idx3(i,j,k,Nj,Nk) k + (j*Nk) + (i*Nj*Nk)
38 #define idx4(i,j,k,l,Nj,Nk,Nl) l + (k*Nl) + (j*Nk*Nl) + (i*Nj*Nk*Nl)
39 #define idx_asym(i,j) ((i>j) ? ((i*(i-1)/2)+j) : ((j*(j-1)/2)+i))
40 
41 #define MIN0(a,b) (((a)<(b)) ? (a) : (b))
42 #define MAX0(a,b) (((a)>(b)) ? (a) : (b))
43 
44 #define DIIS_MIN_DET 1.0E-16
45 #define DIVERGE 1.0E+3
46 
47 #endif /* DEFINES_ */