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EMT Member List

This is the complete list of members for EMT, including all inherited members.

Allocate()EMTprotectedvirtual
AllocateStress()EMTprotectedvirtual
atomsEMTprotected
beforeforcesEMT
CalculateDerivatives(const Vec a[3], double dEdaDota[6])EMTvirtual
CalculateEnergiesAfterSigmas(double *Epot=0)EMTprotectedvirtual
CalculateForcesAfterEnergies(Vec *forces, double stress[][6]=0)EMTprotectedvirtual
CalculateForcesAfterEnergiesSingle(Vec *forces, double stress[][6]=0)EMTprotectedvirtual
CalculateIDs()EMTprotectedvirtual
CalculateLatticeEnergy(const Vec a[3])EMTvirtual
CalculateSigmas(int calculatesigma2=1)EMTprotectedvirtual
CalculateStuff(const Vec a[3], double &sigma1, double &sigma2, double *diffs2, double *wght, double *dsigma1, double *dsigma2)EMTprotectedvirtual
CheckNeighborLists()EMTvirtual
chiEMTprotected
coefEMTprotected
continuumelementEMTprotected
countersEMTprotected
cutoffslopeEMTprotected
dataSigma1EMTprotected
dEdsEMTprotected
EasEMTprotected
EcEMTprotected
EMT(EMTParameterProvider *prov=0)EMT
energiesEMT
forceEMTprotected
force_batch(int *self, int *other, Vec rnb[], double *sq_dist, double dEdss[], double dEdso[], int zs, int zo, int n, Vec *force, double(*stress)[6])EMTprivate
forcesEMT
fullstressesEMT
GetCartesianForces()EMTvirtual
GetCutoffRadius() constEMTinlinevirtual
GetData() constEMTinlinevirtual
GetLatticeConstant() constEMTvirtual
GetNeighborList() constEMTinline
GetNumberOfAtoms() constEMTinlinevirtual
GetPotentialEnergies()EMTvirtual
GetPotentialEnergy()EMTvirtual
GetSigma1(int n)EMTinline
GetSigma2(int n)EMTinline
GetStress(double stress[6], const Vec *momenta=0)EMTvirtual
GetStresses(const Vec *momenta=0)EMTvirtual
ghostatomsEMTprotected
idEMTprotected
idsEMT
InitParameters()EMTprotectedvirtual
nAtomsEMTprotected
nAtomsResEMTprotected
nblistEMTprotected
nblistEMT
nelementsEMTprotected
nHalfNeighborsEMTprotected
nSizeEMTprotected
nSizeResEMTprotected
ownProviderEMTprotected
parametersEMTprotected
potentialenergyEMTprotected
PrintParameters()EMT
providerEMTprotected
radiusEMTprotected
rFermiEMTprotected
rNbCutEMTprotected
SetAtoms(Atoms *atoms)EMTvirtual
SetContinuumElement(int z)EMTvirtual
SetSubtractE0(bool subtractE0)EMTinline
sigma1EMTprotected
sigma1EMT
sigma2EMTprotected
sigma2EMT
sigma2isvalidEMTprotected
sigma_batch(int *self, int *other, Vec rnb[], double *sq_dist, int zs, int zo, int n, int calculatesigma2)EMTprivate
stressEMTprotected
stressesEMT
subtractE0EMTprotected
totalvolumeEMTprotected
unnormalizedstressEMTprotected
UpdateSuperCell(const SuperCell *newSuperCell)EMTvirtual
~AsapPotential()AsapPotentialinlinevirtual
~EMT()EMTvirtual