7 #ifndef COMPUTENONBONDEDSELF_H 8 #define COMPUTENONBONDEDSELF_H 21 int minPartition = 0,
int maxPartition = 1,
int numPartitions = 1);
64 AVXTileLists tileLists;
Box< Patch, CompAtom > * avgPositionBox
ComputeNonbondedWorkArrays *const workArrays
Box< Patch, Real > * dHdrPrefixBox
GBISParamStruct gbisParams
Box< Patch, GBReal > * dEdaSumBox
virtual void atomUpdate()
BigReal pairlistTolerance
virtual ~ComputeNonbondedSelf()
SubmitReduction * pressureProfileReduction
SubmitReduction * reduction
ComputeNonbondedSelf(ComputeID c, PatchID pid, ComputeNonbondedWorkArrays *_workArrays, int minPartition=0, int maxPartition=1, int numPartitions=1)
Box< Patch, Real > * bornRadBox
Box< Patch, GBReal > * psiSumBox
virtual void doForce(CompAtom *p, CompAtomExt *pExt, Results *r)
Box< Patch, Real > * intRadBox
BigReal * pressureProfileData
Box< Patch, CompAtom > * velocityBox
Pairlists gbisStepPairlists[numGBISPairlists]
static const int numGBISPairlists
BigReal reductionData[reductionDataSize]
virtual void initialize()