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 int nr; /* Total number of charge groups */
36 int nrx,nry,nrz; /* The dimension of the grid */
37 int ncells; /* Total number of cells */
38 int maxcells; /* Max number of cells (when box grows) */
39 int delta; /* The distance in cells to be searched */
40 int gmax; /* The size of the largest grid cell */
41 int *cell_index; /* The cell number of each cg */
42 int *index; /* The index into a for each cell */
43 /* The location of the cell in the index*/
44 /* array can be found by calling xyz2ci */
45 int *nra; /* The number of entries in a cell */
46 int *a; /* The grid of cgs */