Inheritance diagram for AtomPerturbation:

Public Member Functions
	AtomPerturbation (unsigned int sp, unsigned int at, int iDir, const Everything &e)

	AtomPerturbation (unsigned int sp, unsigned int at, vector3<> dirCartesian, const Everything &e)

bool	sameAtom (const std::shared_ptr< AtomPerturbation > pert)

void	init (const Everything &e, const class ElecVars &eVars, const ElecInfo &eInfo)
	Initialize variables.

bool	isUltrasoft (const class IonInfo &iInfo)
	Does this atom use an ultrasoft potential.

Public Member Functions inherited from Perturbation
	Perturbation (const Everything &e)

Public Attributes
AtomicMode	mode
	Contains info about the atom and perturbation.

std::vector< ColumnBundle >	Vatom

std::vector< ColumnBundle >	dVatom
	Cached single atom projectors and derivatives.

std::vector< matrix >	VdagCatom

std::vector< matrix >	dVdagCatom
	Cached single atom projections and derivatives.

matrix	E_nAug_datom
	Derivative of augmentation density w.r.t. atom perturbation.

ScalarFieldTilde	Vlocps
	Local single atom pseudopotential contribution.

ScalarFieldArray	dnatom
	Derivative of density w.r.t. atom perturbation.

std::vector< ColumnBundle >	dCatom
	Derivative of wavefunctions.

The documentation for this class was generated from the following file:

Public Member Functions

Public Attributes