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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
counterAtomsprotected
GetAtomicNumbers() constAtomsinlinevirtual
GetAtomicNumbersPtr()Atomsinline
GetCartesianPositions(Vec *p) constAtomsvirtual
GetCartesianPositions() constAtomsinlinevirtual
GetChangeCounter() constAtomsinline
GetGhostPotential()GhostAtomsinline
GetListOfElements(set< int > &elements) constAtomsvirtual
GetNumberOfAtoms() constAtomsinlinevirtual
GetNumberOfGhosts() constGhostAtomsinline
GetNumberOfImages() constAtomsinline
GetNumberOfRealAtoms() constAtomsinline
GetPositionsPtr()Atomsinline
GetPotential() constAtomsinline
GetSuperCell() constAtomsinlinevirtual
GetUnitCell() constAtomsvirtual
GetUnwrappedPositions(vector< Vec > &p) constAtomsvirtual
GhostAtoms(const Vec *pos, int nAtoms, SuperCell *superCell)GhostAtoms
ghostPotentialGhostAtomsprivate
MarkChanged()Atomsinline
nAtomsAtomsprotected
nGhostsGhostAtomsprivate
nImagesAtomsprotected
NormalizeDifference(Vec &diff) constAtomsvirtual
NormalizeDifferences(Vec *diff) constAtomsvirtual
NormalizePosition(Vec &pos) constAtomsvirtual
NormalizePosition(Vec &pos, Vec &scaled_translation) constAtomsvirtual
NormalizePositions()Atomsvirtual
pos_translationsAtomsprotected
positionsAtomsprotected
potentialAtomsprotected
ReNormalizePosition(Vec &pos, Vec &scaled_translation) constAtomsvirtual
SetAtomicNumbers(const int *z)Atomsvirtual
SetCalculator(AsapPotential *potential)Atomsvirtual
SetCartesianPositions(const Vec *p)Atomsvirtual
SetGhostPotential(GhostPotential *g)GhostAtomsinline
SetNumberOfAtoms(int n)Atomsvirtual
SetNumberOfGhosts(int g)GhostAtoms
SetNumberOfImages(int i)Atoms
SetUnitCell(const Vec newbasis[3], bool fix)Atomsvirtual
SetUnwrappedPositions(const Vec *p)Atomsvirtual
superCellAtomsprotected
typesAtomsprotected
~Atoms()Atomsinlinevirtual
~GhostAtoms()GhostAtomsinlinevirtual