Properly finalize MPI on mdrun -version. Fixes #1313
[gromacs.git] / include / types / ishift.h
blobacdbfab9680079b57679582a7dfd3b6bfa50f134
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40 /* not really neccesary, right now: */
41 #ifdef __cplusplus
42 extern "C" {
43 #endif
46 #define D_BOX_Z 1
47 #define D_BOX_Y 1
48 #define D_BOX_X 2
49 #define N_BOX_Z (2*D_BOX_Z+1)
50 #define N_BOX_Y (2*D_BOX_Y+1)
51 #define N_BOX_X (2*D_BOX_X+1)
52 #define N_IVEC (N_BOX_Z*N_BOX_Y*N_BOX_X)
53 #define CENTRAL (N_IVEC/2)
54 #define SHIFTS N_IVEC
56 #define XYZ2IS(x, y, z) (N_BOX_X*(N_BOX_Y*((z)+D_BOX_Z)+(y)+D_BOX_Y)+(x)+D_BOX_X)
57 #define IVEC2IS(iv) (XYZ2IS((iv)[XX], (iv)[YY], (iv)[ZZ]))
58 #define IS2X(iv) (((iv) % N_BOX_X) - D_BOX_X)
59 #define IS2Y(iv) ((((iv) / N_BOX_X) % N_BOX_Y) - D_BOX_Y)
60 #define IS2Z(iv) ((iv) / (N_BOX_X*N_BOX_Y) - D_BOX_Z)
63 #ifdef __cplusplus
65 #endif