src/gromacs/mdlib/genborn_allvsall_sse2_double.h

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  37 #ifndef _GENBORN_ALLVSALL_SSE2_DOUBLE_H
  38 #define _GENBORN_ALLVSALL_SSE2_DOUBLE_H
  39
  40 #include "gromacs/legacyheaders/types/simple.h"
  41 #include "gromacs/legacyheaders/typedefs.h"
  42
  43 int
  44 genborn_allvsall_calc_still_radii_sse2_double(t_forcerec *           fr,
  45                                               t_mdatoms *            mdatoms,
  46                                               gmx_genborn_t *        born,
  47                                               gmx_localtop_t *       top,
  48                                               double *               x,
  49                                               t_commrec *            cr,
  50                                               void *                 work);
  51
  52 int
  53 genborn_allvsall_calc_hct_obc_radii_sse2_double(t_forcerec *           fr,
  54                                                 t_mdatoms *            mdatoms,
  55                                                 gmx_genborn_t *        born,
  56                                                 int                    gb_algorithm,
  57                                                 gmx_localtop_t *       top,
  58                                                 double *               x,
  59                                                 t_commrec *            cr,
  60                                                 void *                 work);
  61
  62 int
  63 genborn_allvsall_calc_chainrule_sse2_double(t_forcerec *           fr,
  64                                             t_mdatoms *            mdatoms,
  65                                             gmx_genborn_t *        born,
  66                                             double *               x,
  67                                             double *               f,
  68                                             int                    gb_algorithm,
  69                                             void *                 work);
  70
  71 #endif