| version 1.1 | version 1.2 |
|---|
| |
| void update_dHdrPrefix(const int atomStorageSize, float* dHdrPrefixH, cudaStream_t stream); | void update_dHdrPrefix(const int atomStorageSize, float* dHdrPrefixH, cudaStream_t stream); |
| | |
| void GBISphase1(CudaTileListKernel& tlKernel, const int atomStorageSize, | void GBISphase1(CudaTileListKernel& tlKernel, const int atomStorageSize, |
| const float latticeX, const float latticeY, const float latticeZ, const float a_cut, float* h_psiSum, | const float3 lata, const float3 latb, const float3 latc, const float a_cut, float* h_psiSum, |
| cudaStream_t stream); | cudaStream_t stream); |
| | |
| void GBISphase2(CudaTileListKernel& tlKernel, const int atomStorageSize, | void GBISphase2(CudaTileListKernel& tlKernel, const int atomStorageSize, |
| const bool doEnergy, const bool doSlow, | const bool doEnergy, const bool doSlow, |
| const float latticeX, const float latticeY, const float latticeZ, | const float3 lata, const float3 latb, const float3 latc, |
| const float r_cut, const float scaling, const float kappa, const float smoothDist, | const float r_cut, const float scaling, const float kappa, const float smoothDist, |
| const float epsilon_p, const float epsilon_s, | const float epsilon_p, const float epsilon_s, |
| float4* d_forces, | float4* d_forces, |
| float* h_dEdaSum, cudaStream_t stream); | float* h_dEdaSum, cudaStream_t stream); |
| | |
| void GBISphase3(CudaTileListKernel& tlKernel, const int atomStorageSize, | void GBISphase3(CudaTileListKernel& tlKernel, const int atomStorageSize, |
| const float latticeX, const float latticeY, const float latticeZ, const float a_cut, | const float3 lata, const float3 latb, const float3 latc, const float a_cut, |
| float4* d_forces, | float4* d_forces, |
| cudaStream_t stream); | cudaStream_t stream); |
| | |