NAMD
ComputePmeCUDAKernel.h
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1 #ifdef NAMD_CUDA
2 
3 #ifndef __CUDACC__
4 #undef __align__
5 #define __align__(X)
6 #endif
7 
8 void cuda_init_bspline_coeffs(float **c, float **dc, int order);
9 
10 #define CUDA_PME_CHARGES_PROTOTYPE \
11 void cuda_pme_charges( \
12  const float *coeffs, \
13  float * const *q_arr, int *f_arr, int *fz_arr, \
14  float *a_data, int n_atoms, \
15  int K1, int K2, int K3, \
16  int order, cudaStream_t stream)
17 
19 
20 
21 #define CUDA_PME_CHARGES_BATCHED_PROTOTYPE \
22 void cuda_pme_charges_batched( \
23  const float *coeffs, \
24  float * const *q_arr, int *f_arr, int *fz_arr, \
25  float **a_data_ptr, int* n_atoms_ptr, \
26  int* K1_ptr, int* K2_ptr, int* K3_ptr, \
27  int order, int numPatches, int n_max_atoms, cudaStream_t stream)
28 
30 
31 
32 #define CUDA_PME_FORCES_PROTOTYPE \
33 void cuda_pme_forces( \
34  const float *coeffs, \
35  float * const *q_arr, \
36  float * const *afn, int dimy, int maxn, \
37  /* float *a_data, float *f_data, int n_atoms, */ \
38  int K1, int K2, int K3, \
39  int order, cudaStream_t stream)
40 
42 
43 #endif // NAMD_CUDA
44 
#define CUDA_PME_FORCES_PROTOTYPE
#define CUDA_PME_CHARGES_BATCHED_PROTOTYPE
#define CUDA_PME_CHARGES_PROTOTYPE
#define order
Definition: PmeRealSpace.C:235
void cuda_init_bspline_coeffs(float **c, float **dc, int order)