src/gromacs/nbnxm/kernels_reference/kernel_gpu_ref.h

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  36
  37 #ifndef _nbnxn_kernel_gpu_ref_h
  38 #define _nbnxn_kernel_gpu_ref_h
  39
  40 #include "gromacs/math/vectypes.h"
  41 #include "gromacs/mdtypes/forcerec.h"
  42 #include "gromacs/utility/arrayref.h"
  43 #include "gromacs/utility/real.h"
  44
  45 struct NbnxnPairlistGpu;
  46 struct nbnxn_atomdata_t;
  47
  48 namespace gmx
  49 {
  50 class StepWorkload;
  51 }
  52
  53 /* Reference (slow) kernel for nb n vs n GPU type pair lists */
  54 void nbnxn_kernel_gpu_ref(const NbnxnPairlistGpu*    nbl,
  55                           const nbnxn_atomdata_t*    nbat,
  56                           const interaction_const_t* iconst,
  57                           rvec*                      shift_vec,
  58                           const gmx::StepWorkload&   stepWork,
  59                           int                        clearF,
  60                           gmx::ArrayRef<real>        f,
  61                           real*                      fshift,
  62                           real*                      Vc,
  63                           real*                      Vvdw);
  64
  65 #endif