/usr/include/gromacs/pbcutil/ishift.h is in libgromacs-dev 5.1.2-1ubuntu1.
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* This file is part of the GROMACS molecular simulation package.
*
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#ifndef GMX_PBCUTIL_ISHIFT_H
#define GMX_PBCUTIL_ISHIFT_H
#define D_BOX_Z 1
#define D_BOX_Y 1
#define D_BOX_X 2
#define N_BOX_Z (2*D_BOX_Z+1)
#define N_BOX_Y (2*D_BOX_Y+1)
#define N_BOX_X (2*D_BOX_X+1)
#define N_IVEC (N_BOX_Z*N_BOX_Y*N_BOX_X)
#define CENTRAL (N_IVEC/2)
#define SHIFTS N_IVEC
#define XYZ2IS(x, y, z) (N_BOX_X*(N_BOX_Y*((z)+D_BOX_Z)+(y)+D_BOX_Y)+(x)+D_BOX_X)
#define IVEC2IS(iv) (XYZ2IS((iv)[XX], (iv)[YY], (iv)[ZZ]))
#define IS2X(iv) (((iv) % N_BOX_X) - D_BOX_X)
#define IS2Y(iv) ((((iv) / N_BOX_X) % N_BOX_Y) - D_BOX_Y)
#define IS2Z(iv) ((iv) / (N_BOX_X*N_BOX_Y) - D_BOX_Z)
#endif
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