src/mdlib/genborn_sse2_double.h

   1 #ifndef _genborn_sse2_double_h
   2 #define _genborn_sse2_double_h
   3 #ifdef HAVE_CONFIG_H
   4 #include <config.h>
   5 #endif
   6
   7 #include "typedefs.h"
   8 #include "grompp.h"
   9
  10
  11 int
  12 calc_gb_chainrule_sse2_double(int natoms, t_nblist *nl, double *dadx, double *dvda, double *xd, double *f,
  13                                                           double *fshift, double *shift_vec, int gb_algorithm,
  14                                                           gmx_genborn_t *born);
  15
  16 int
  17 calc_gb_rad_still_sse2_double(t_commrec *cr, t_forcerec *fr,int natoms, gmx_localtop_t *top,
  18                                                           const t_atomtypes *atype, double *x, t_nblist *nl, gmx_genborn_t *born, t_mdatoms *md);
  19
  20 int
  21 calc_gb_rad_hct_sse2_double(t_commrec *cr, t_forcerec *fr, int natoms, gmx_localtop_t *top,
  22                                                         const t_atomtypes *atype, double *x, t_nblist *nl, gmx_genborn_t *born, t_mdatoms *md);
  23
  24 int
  25 calc_gb_rad_obc_sse2_double(t_commrec *cr, t_forcerec * fr, int natoms, gmx_localtop_t *top,
  26                                                         const t_atomtypes *atype, double *x, t_nblist *nl, gmx_genborn_t *born,t_mdatoms *md);
  27
  28
  29 #endif /* _genborn_sse2_double_h */