| /*************************************************************************/ |
| /* */ |
| /* 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; |