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geom.h
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geom.h
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#ifndef VC_GEOM_H
#define VC_GEOM_H
#include "math_config.h"
#include "conf.h"
#ifdef USE_GMXLIB_2018
//#include "gromacs/fileio/tpxio.h"
//#include "gromacs/pbcutil/pbc.h"
//#include "gromacs/math/vec.h"
#endif
#ifdef USE_GMXLIB_5
#include "gromacs/legacyheaders/tpxio.h"
#include "gromacs/legacyheaders/txtdump.h"
#include "gromacs/legacyheaders/pbc.h"
#include "gromacs/legacyheaders/vec.h"
#endif
t_real vnorm_sqr( t_real * );
t_real vnorm( t_real * );
void normalize( t_real * );
t_real dist_real3( t_real *, t_real * );
t_real dist_real3_sqr( t_real *, t_real * );
void vavg_real3( t_real *, t_real *, t_real * );
void pbc_vec_real3( t_real *, t_real *, t_real *, t_real * );
#ifdef USE_GMX_PBC_DIST
void pbc_init_box_gmx( char *, int, int *, t_inputrec *, t_topology *, rvec *, t_pbc * );
t_real pbc_dist_real3_gmx( t_real *, t_real *, rvec *, t_pbc * );
t_real pbc_dist_real3_sqr_gmx( t_real *, t_real *, rvec *, t_pbc * );
void pbc_vec_real3_gmx( t_real *, t_real *, t_real *, t_pbc * );
#endif
t_real pbc_dist_real3( t_real *, t_real *, t_real * );
t_real pbc_dist_real3_sqr( t_real *, t_real *, t_real * );
t_real dotp_real3( t_real *, t_real * );
#endif