7 #ifndef COMPUTENONBONDEDCUDAEXCL_H
8 #define COMPUTENONBONDEDCUDAEXCL_H
34 #if defined(NAMD_CUDA) || defined(NAMD_HIP)
static int pressureProfileAtomTypes
ComputeExcls(ComputeID c, PatchIDList &p)
static void submitReductionData(BigReal *, SubmitReduction *)
int operator==(const ExclElem &a) const
static void computeForce(ExclElem *, int, BigReal *, BigReal *)
static void getParameterPointers(Parameters *, const int **)
TupleSignature * allTuples
int operator<(const ExclElem &a) const
ComputeSelfExcls(ComputeID c, PatchID p)
static int pressureProfileSlabs
static BigReal pressureProfileThickness
static void getTupleInfo(ExclusionSignature *sig, int *count, TupleSignature **t)
static BigReal pressureProfileMin
static void getMoleculePointers(Molecule *, int *, int32 ***, Exclusion **)