ComputePmeCUDAKernel.h

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00001 #ifdef NAMD_CUDA
00002 
00003 #ifndef __CUDACC__
00004 #undef __align__
00005 #define __align__(X)
00006 #endif
00007 
00008 void cuda_init_bspline_coeffs(float **c, float **dc, int order);
00009 
00010 #define CUDA_PME_CHARGES_PROTOTYPE \
00011 void cuda_pme_charges( \
00012   const float *coeffs, \
00013   float * const *q_arr, int *f_arr, int *fz_arr, \
00014   float *a_data, int n_atoms, \
00015   int K1, int K2, int K3, \
00016   int order, cudaStream_t stream)
00017 
00018 CUDA_PME_CHARGES_PROTOTYPE;
00019 
00020 
00021 #define CUDA_PME_CHARGES_BATCHED_PROTOTYPE \
00022 void cuda_pme_charges_batched( \
00023   const float *coeffs, \
00024   float * const *q_arr, int *f_arr, int *fz_arr, \
00025   float **a_data_ptr, int* n_atoms_ptr, \
00026   int* K1_ptr, int* K2_ptr, int* K3_ptr, \
00027   int order, int numPatches, int n_max_atoms, cudaStream_t stream)
00028 
00029 CUDA_PME_CHARGES_BATCHED_PROTOTYPE;
00030 
00031 
00032 #define CUDA_PME_FORCES_PROTOTYPE \
00033 void cuda_pme_forces( \
00034   const float *coeffs, \
00035   float * const *q_arr, \
00036   float * const *afn, int dimy, int maxn, \
00037   /* float *a_data, float *f_data, int n_atoms, */ \
00038   int K1, int K2, int K3, \
00039   int order, cudaStream_t stream)
00040 
00041 CUDA_PME_FORCES_PROTOTYPE;
00042 
00043 #endif // NAMD_CUDA
00044 

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