amdDiheVirialIndex_XX enum value | ComputeBondedCUDAKernel | |
amdDiheVirialIndex_XY enum value | ComputeBondedCUDAKernel | |
amdDiheVirialIndex_XZ enum value | ComputeBondedCUDAKernel | |
amdDiheVirialIndex_YX enum value | ComputeBondedCUDAKernel | |
amdDiheVirialIndex_YY enum value | ComputeBondedCUDAKernel | |
amdDiheVirialIndex_YZ enum value | ComputeBondedCUDAKernel | |
amdDiheVirialIndex_ZX enum value | ComputeBondedCUDAKernel | |
amdDiheVirialIndex_ZY enum value | ComputeBondedCUDAKernel | |
amdDiheVirialIndex_ZZ enum value | ComputeBondedCUDAKernel | |
bondedForce(const double scale14, const int atomStorageSize, const bool doEnergy, const bool doVirial, const bool doSlow, const bool doTable, const float3 lata, const float3 latb, const float3 latc, const float cutoff2, const float r2_delta, const int r2_delta_expc, const CudaNBConstants nbConstants, const float4 *h_xyzq, double *h_forces, double *h_energies, bool atomsChanged, bool CUDASOAintegratorOn, bool useDeviceMigration, cudaStream_t stream) | ComputeBondedCUDAKernel | |
ComputeBondedCUDAKernel(int deviceID, CudaNonbondedTables &cudaNonbondedTables) | ComputeBondedCUDAKernel | |
energies_virials_SIZE enum value | ComputeBondedCUDAKernel | |
energyIndex_ANGLE enum value | ComputeBondedCUDAKernel | |
energyIndex_ANGLE_F enum value | ComputeBondedCUDAKernel | |
energyIndex_ANGLE_TI_1 enum value | ComputeBondedCUDAKernel | |
energyIndex_ANGLE_TI_2 enum value | ComputeBondedCUDAKernel | |
energyIndex_BOND enum value | ComputeBondedCUDAKernel | |
energyIndex_BOND_F enum value | ComputeBondedCUDAKernel | |
energyIndex_BOND_TI_1 enum value | ComputeBondedCUDAKernel | |
energyIndex_BOND_TI_2 enum value | ComputeBondedCUDAKernel | |
energyIndex_CROSSTERM enum value | ComputeBondedCUDAKernel | |
energyIndex_CROSSTERM_F enum value | ComputeBondedCUDAKernel | |
energyIndex_CROSSTERM_TI_1 enum value | ComputeBondedCUDAKernel | |
energyIndex_CROSSTERM_TI_2 enum value | ComputeBondedCUDAKernel | |
energyIndex_DIHEDRAL enum value | ComputeBondedCUDAKernel | |
energyIndex_DIHEDRAL_F enum value | ComputeBondedCUDAKernel | |
energyIndex_DIHEDRAL_TI_1 enum value | ComputeBondedCUDAKernel | |
energyIndex_DIHEDRAL_TI_2 enum value | ComputeBondedCUDAKernel | |
energyIndex_ELECT enum value | ComputeBondedCUDAKernel | |
energyIndex_ELECT_F enum value | ComputeBondedCUDAKernel | |
energyIndex_ELECT_SLOW enum value | ComputeBondedCUDAKernel | |
energyIndex_ELECT_SLOW_F enum value | ComputeBondedCUDAKernel | |
energyIndex_ELECT_SLOW_TI_1 enum value | ComputeBondedCUDAKernel | |
energyIndex_ELECT_SLOW_TI_2 enum value | ComputeBondedCUDAKernel | |
energyIndex_ELECT_TI_1 enum value | ComputeBondedCUDAKernel | |
energyIndex_ELECT_TI_2 enum value | ComputeBondedCUDAKernel | |
energyIndex_IMPROPER enum value | ComputeBondedCUDAKernel | |
energyIndex_IMPROPER_F enum value | ComputeBondedCUDAKernel | |
energyIndex_IMPROPER_TI_1 enum value | ComputeBondedCUDAKernel | |
energyIndex_IMPROPER_TI_2 enum value | ComputeBondedCUDAKernel | |
energyIndex_LJ enum value | ComputeBondedCUDAKernel | |
energyIndex_LJ_F enum value | ComputeBondedCUDAKernel | |
energyIndex_LJ_TI_1 enum value | ComputeBondedCUDAKernel | |
energyIndex_LJ_TI_2 enum value | ComputeBondedCUDAKernel | |
getAllForceSize(const int atomStorageSize, const bool doSlow) | ComputeBondedCUDAKernel | |
getAtomBuffer() | ComputeBondedCUDAKernel | inline |
getData() | ComputeBondedCUDAKernel | |
getForces() | ComputeBondedCUDAKernel | inline |
getForceSize(const int atomStorageSize) | ComputeBondedCUDAKernel | |
getForceStride(const int atomStorageSize) | ComputeBondedCUDAKernel | |
getTupleCounts() | ComputeBondedCUDAKernel | |
kTupleOveralloc | ComputeBondedCUDAKernel | static |
nbondVirialIndex_XX enum value | ComputeBondedCUDAKernel | |
nbondVirialIndex_XY enum value | ComputeBondedCUDAKernel | |
nbondVirialIndex_XZ enum value | ComputeBondedCUDAKernel | |
nbondVirialIndex_YX enum value | ComputeBondedCUDAKernel | |
nbondVirialIndex_YY enum value | ComputeBondedCUDAKernel | |
nbondVirialIndex_YZ enum value | ComputeBondedCUDAKernel | |
nbondVirialIndex_ZX enum value | ComputeBondedCUDAKernel | |
nbondVirialIndex_ZY enum value | ComputeBondedCUDAKernel | |
nbondVirialIndex_ZZ enum value | ComputeBondedCUDAKernel | |
normalVirialIndex_XX enum value | ComputeBondedCUDAKernel | |
normalVirialIndex_XY enum value | ComputeBondedCUDAKernel | |
normalVirialIndex_XZ enum value | ComputeBondedCUDAKernel | |
normalVirialIndex_YX enum value | ComputeBondedCUDAKernel | |
normalVirialIndex_YY enum value | ComputeBondedCUDAKernel | |
normalVirialIndex_YZ enum value | ComputeBondedCUDAKernel | |
normalVirialIndex_ZX enum value | ComputeBondedCUDAKernel | |
normalVirialIndex_ZY enum value | ComputeBondedCUDAKernel | |
normalVirialIndex_ZZ enum value | ComputeBondedCUDAKernel | |
reallocateTupleBuffer(const TupleCounts countIn, cudaStream_t stream) | ComputeBondedCUDAKernel | |
setTupleCounts(const TupleCounts count) | ComputeBondedCUDAKernel | |
setupAngleValues(int numAngleValues, CudaAngleValue *h_angleValues) | ComputeBondedCUDAKernel | |
setupBondValues(int numBondValues, CudaBondValue *h_bondValues) | ComputeBondedCUDAKernel | |
setupCrosstermValues(int numCrosstermValues, CudaCrosstermValue *h_crosstermValues) | ComputeBondedCUDAKernel | |
setupDihedralValues(int numDihedralValues, CudaDihedralValue *h_dihedralValues) | ComputeBondedCUDAKernel | |
setupImproperValues(int numImproperValues, CudaDihedralValue *h_improperValues) | ComputeBondedCUDAKernel | |
slowVirialIndex_XX enum value | ComputeBondedCUDAKernel | |
slowVirialIndex_XY enum value | ComputeBondedCUDAKernel | |
slowVirialIndex_XZ enum value | ComputeBondedCUDAKernel | |
slowVirialIndex_YX enum value | ComputeBondedCUDAKernel | |
slowVirialIndex_YY enum value | ComputeBondedCUDAKernel | |
slowVirialIndex_YZ enum value | ComputeBondedCUDAKernel | |
slowVirialIndex_ZX enum value | ComputeBondedCUDAKernel | |
slowVirialIndex_ZY enum value | ComputeBondedCUDAKernel | |
slowVirialIndex_ZZ enum value | ComputeBondedCUDAKernel | |
update(const int numBondsIn, const int numAnglesIn, const int numDihedralsIn, const int numImpropersIn, const int numModifiedExclusionsIn, const int numExclusionsIn, const int numCrosstermsIn, const char *h_tupleData, cudaStream_t stream) | ComputeBondedCUDAKernel | |
updateAtomBuffer(const int atomStorageSize, cudaStream_t stream) | ComputeBondedCUDAKernel | |
updateCudaAlchFlags(const CudaAlchFlags &h_cudaAlchFlags) | ComputeBondedCUDAKernel | |
updateCudaAlchLambdas(const CudaAlchLambdas *h_cudaAlchLambdas, cudaStream_t stream) | ComputeBondedCUDAKernel | |
updateCudaAlchParameters(const CudaAlchParameters *h_cudaAlchParameters, cudaStream_t stream) | ComputeBondedCUDAKernel | |
warpAlign(const int n) | ComputeBondedCUDAKernel | inlinestatic |
~ComputeBondedCUDAKernel() | ComputeBondedCUDAKernel | |