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Long-timescale dynamics: aKMC, NEB, parallel replica
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GhostPotential Member List
This is the complete list of members for
GhostPotential
, including all inherited members.
CalculateDerivatives
(const Vec a[3], double dEdaDota[6])
AsapPotential
inline
virtual
CalculateLatticeEnergy
(const Vec a[3])
AsapPotential
inline
virtual
CheckAndUpdateAtoms
(bool update)=0
GhostPotential
pure virtual
CheckNeighborLists
()=0
AsapPotential
pure virtual
CommunicateData
(double data[])=0
GhostPotential
pure virtual
CommunicateData
(double data[], int n)=0
GhostPotential
pure virtual
GetCartesianForces
()=0
AsapPotential
pure virtual
GetCutoffRadius
() const
GhostPotential
inline
virtual
GetData
() const
AsapPotential
inline
virtual
GetLatticeConstant
() const
GhostPotential
inline
virtual
GetNumberOfAtoms
() const =0
AsapPotential
pure virtual
GetPotentialEnergies
()=0
AsapPotential
pure virtual
GetPotentialEnergy
()=0
AsapPotential
pure virtual
GetStress
(double stress[6], const Vec *momenta=0)=0
AsapPotential
pure virtual
GetStresses
(const Vec *momenta=0)=0
AsapPotential
pure virtual
GhostPotential
(AsapPotential *p)
GhostPotential
inline
potential
GhostPotential
protected
SetAtoms
(Atoms *a)=0
AsapPotential
pure virtual
UpdateGhostPositions
()=0
GhostPotential
pure virtual
UpdateSuperCell
(const SuperCell *newSuperCell)=0
AsapPotential
pure virtual
~AsapPotential
()
AsapPotential
inline
virtual
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