/*************************************************************************/ /* */ /* Copyright (c) 1994 Stanford University */ /* */ /* All rights reserved. */ /* */ /* Permission is given to use, copy, and modify this software for any */ /* non-commercial purpose as long as this copyright notice is not */ /* removed. All other uses, including redistribution in whole or in */ /* part, are forbidden without prior written permission. */ /* */ /* This software is provided with absolutely no warranty and no */ /* support. */ /* */ /*************************************************************************/ /* this file contains the declarations of the main data structure types used by the program */ #define BOTH 2 typedef double vm_type[3]; typedef struct mol_dummy { vm_type VM; double F[MXOD2][NDIR][NATOM]; } molecule_type; typedef struct link { molecule_type mol; struct link *next_mol; } link_type; typedef struct box_dummy { struct link *list; LOCKDEC(boxlock) } box_type; extern box_type ***BOX; typedef struct array_dummy { long box[NDIR][BOTH]; } first_last_array; extern first_last_array **start_end; typedef struct list_of_boxes { long coord[3]; struct list_of_boxes *next_box; } box_list; extern box_list **my_boxes; extern double TLC[100], FPOT, FKIN; extern long IX[3*MXOD2+1], IRST,NVAR,NXYZ,NXV,IXF,IYF,IZF,IMY,IMZ; extern long NumProcs; extern long NumBoxes;