C++ (Cpp) KIM_API_set_method Beispiele

Beispiel #1

Datei: ex_model_Ar_P_MLJ_C.c Projekt: GoogleInternetAuthorityG2SUNGHAN/openkim-api

/* Initialization function */
int model_init(void *km)
{
   /* Local variables */
   intptr_t* pkim = *((intptr_t**) km);
   double* model_cutoff;
   int ier;

   /* store pointer to compute function in KIM object */
   ier = KIM_API_set_method(pkim, "compute", 1, (func_ptr) &compute);
   if (KIM_STATUS_OK > ier)
   {
      KIM_API_report_error(__LINE__, __FILE__, "KIM_API_set_method", ier);
      return ier;
   }

   /* store model cutoff in KIM object */
   model_cutoff = (double*) KIM_API_get_data(pkim, "cutoff", &ier);
   if (KIM_STATUS_OK > ier)
   {
      KIM_API_report_error(__LINE__, __FILE__, "KIM_API_get_data", ier);
      return ier;
   }
   *model_cutoff = MODEL_CUTOFF; /* cutoff distance in angstroms */

   ier = KIM_STATUS_OK;
   return ier;
}

Beispiel #2

int setup_neighborlist_KIM_access(void* pkim, NeighObjectType* NeighObject)
{
  /* local variables */
  int status;
  /* register for neighObject */
  KIM_API_setm_data(pkim, &status, 1*4, "neighObject", 1, NeighObject, 1);
  if (KIM_STATUS_OK > status) {
   KIM_API_report_error(__LINE__, __FILE__,"KIM_API_setm_data",status);
    return(status);
   }

  /* register for get_neigh */
  status = KIM_API_set_method(pkim, "get_neigh", 1, (func_ptr) &get_neigh);
  if (KIM_STATUS_OK > status) {
    KIM_API_report_error(__LINE__, __FILE__,"KIM_API_set_method",status);
    return(status);
  }
  return KIM_STATUS_OK;
}