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Long-timescale dynamics: aKMC, NEB, parallel replica
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GhostAtoms Member List
This is the complete list of members for
GhostAtoms
, including all inherited members.
Atoms
(const Vec *p, int n, SuperCell *s)
Atoms
counter
Atoms
protected
GetAtomicNumbers
() const
Atoms
inline
virtual
GetAtomicNumbersPtr
()
Atoms
inline
GetCartesianPositions
(Vec *p) const
Atoms
virtual
GetCartesianPositions
() const
Atoms
inline
virtual
GetChangeCounter
() const
Atoms
inline
GetGhostPotential
()
GhostAtoms
inline
GetListOfElements
(set< int > &elements) const
Atoms
virtual
GetNumberOfAtoms
() const
Atoms
inline
virtual
GetNumberOfGhosts
() const
GhostAtoms
inline
GetNumberOfImages
() const
Atoms
inline
GetNumberOfRealAtoms
() const
Atoms
inline
GetPositionsPtr
()
Atoms
inline
GetPotential
() const
Atoms
inline
GetSuperCell
() const
Atoms
inline
virtual
GetUnitCell
() const
Atoms
virtual
GetUnwrappedPositions
(vector< Vec > &p) const
Atoms
virtual
GhostAtoms
(const Vec *pos, int nAtoms, SuperCell *superCell)
GhostAtoms
ghostPotential
GhostAtoms
private
MarkChanged
()
Atoms
inline
nAtoms
Atoms
protected
nGhosts
GhostAtoms
private
nImages
Atoms
protected
NormalizeDifference
(Vec &diff) const
Atoms
virtual
NormalizeDifferences
(Vec *diff) const
Atoms
virtual
NormalizePosition
(Vec &pos) const
Atoms
virtual
NormalizePosition
(Vec &pos, Vec &scaled_translation) const
Atoms
virtual
NormalizePositions
()
Atoms
virtual
pos_translations
Atoms
protected
positions
Atoms
protected
potential
Atoms
protected
ReNormalizePosition
(Vec &pos, Vec &scaled_translation) const
Atoms
virtual
SetAtomicNumbers
(const int *z)
Atoms
virtual
SetCalculator
(AsapPotential *potential)
Atoms
virtual
SetCartesianPositions
(const Vec *p)
Atoms
virtual
SetGhostPotential
(GhostPotential *g)
GhostAtoms
inline
SetNumberOfAtoms
(int n)
Atoms
virtual
SetNumberOfGhosts
(int g)
GhostAtoms
SetNumberOfImages
(int i)
Atoms
SetUnitCell
(const Vec newbasis[3], bool fix)
Atoms
virtual
SetUnwrappedPositions
(const Vec *p)
Atoms
virtual
superCell
Atoms
protected
types
Atoms
protected
~Atoms
()
Atoms
inline
virtual
~GhostAtoms
()
GhostAtoms
inline
virtual
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