4 #ifndef TUPLETYPESCUDA_H 5 #define TUPLETYPESCUDA_H 9 #include <cuda_runtime.h> 12 #include <hip/hip_runtime.h> 17 #if defined(NAMD_CUDA) || defined(NAMD_HIP) 36 static_assert(
sizeof(
CudaBondStage) == 28,
"CudaBondStage unexpected size");
55 static_assert(
sizeof(
CudaAngleStage) == 36,
"CudaAngleStage unexpected size");
75 static_assert(
sizeof(
CudaDihedralStage) == 44,
"CudaDihedralStage unexpected size");
112 static_assert(
sizeof(
CudaCrosstermStage) == 76,
"CudaCrosstermStage unexpected size");
161 static_assert(
sizeof(
CudaTholeStage) == 44,
"CudaTholeStage unexpected size");
183 static_assert(
sizeof(
CudaAnisoStage) == 56,
"CudaAnisoStage unexpected size");
330 #endif // NAMD_CUDA || NAMD_HIP 332 #endif // TUPLETYPESCUDA_H
CudaDihedralStage * improper
CudaExclusionStage ** modifiedExclusion
NAMD_HOST_DEVICE int * aniso()
NAMD_HOST_DEVICE int * modifiedExclusion()
NAMD_HOST_DEVICE int * thole()
CudaDihedralStage ** improper
CudaCrosstermStage * crossterm
NAMD_HOST_DEVICE int * exclusion()
CudaCrossterm * crossterm
CudaDihedralStage ** dihedral
CudaCrosstermStage ** crossterm
NAMD_HOST_DEVICE int * bond()
CudaExclusion * exclusion
size_t offsets[kNumTupleTypes]
CudaDihedralStage * dihedral
NAMD_HOST_DEVICE int * crossterm()
NAMD_HOST_DEVICE int * angle()
CudaExclusionStage * modifiedExclusion
CudaExclusion * modifiedExclusion
CudaExclusionStage * exclusion
bool alchVdwForceSwitching
static constexpr int kNumTupleTypes
CudaExclusionStage ** exclusion
NAMD_HOST_DEVICE int * improper()
NAMD_HOST_DEVICE int * dihedral()