4 * This source code is part of
8 * GROningen MAchine for Chemical Simulations
12 * Copyright (c) 1991-1999
13 * BIOSON Research Institute, Dept. of Biophysical Chemistry
14 * University of Groningen, The Netherlands
17 * GROMACS: A message-passing parallel molecular dynamics implementation
18 * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
19 * Comp. Phys. Comm. 91, 43-56 (1995)
21 * Also check out our WWW page:
22 * http://md.chem.rug.nl/~gmx
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35 #ifdef ALLOW_OFFDIAG_LT_HALFDIAG
42 #define N_BOX_Z (2*D_BOX_Z+1)
43 #define N_BOX_Y (2*D_BOX_Y+1)
44 #define N_BOX_X (2*D_BOX_X+1)
45 #define N_IVEC (N_BOX_Z*N_BOX_Y*N_BOX_X)
46 #define CENTRAL (N_IVEC/2)
49 #define XYZ2IS(x,y,z) (N_BOX_X*(N_BOX_Y*((z)+D_BOX_Z)+(y)+D_BOX_Y)+(x)+D_BOX_X)
50 #define IVEC2IS(iv) (XYZ2IS((iv)[XX],(iv)[YY],(iv)[ZZ]))