dftefe::ksdft Namespace Reference

Namespaces
namespace	DensityCalculatorInternal
namespace	ElectrostaticLocalFEInternal
namespace	ExchangeCorrelationFEInternal
namespace	KohnShamDFTInternal
namespace	KohnShamOperatorContextFEInternal

Classes
class	Constants
class	DensityCalculator
class	ElectroHamiltonianDefaults
class	ElectrostaticExcFE
class	ElectrostaticFE
	A derived class of linearAlgebra::OperatorContext to encapsulate the action of a discrete operator on vectors, matrices, etc. More...
class	ElectrostaticLocalFE
class	ElectrostaticONCVNonLocFE
class	Energy
class	ExchangeCorrelationFE
class	FractionalOccupancyFunction
class	Hamiltonian
class	KineticFE
class	KohnShamDFT
class	KohnShamEigenSolver
class	KohnShamOperatorContextFE
	A derived class of linearAlgebra::OperatorContext to encapsulate the action of a discrete Kohn-Sham operator on vectors. More...
class	KSDFTDefaults
class	LibxcDefaults
class	LinearEigenSolverDefaults
class	MixingScheme
	This class performs the anderson mixing in a variable agnostic way This class takes can take different input variables as input in a std::vector format and computes the mixing coefficients These coefficients can then be used to compute the new variable at the start of the SCF. More...
class	NewtonRaphsonSolverDefaults
class	PoissonProblemDefaults

Enumerations
enum class	mixingVariable { rho }
	Enum class that stores he list of variables that will can be used in the mixing scheme. More...

Functions
double	fermiDirac (const double eigenValue, const double fermiEnergy, const double kb, const double T)
double	fermiDiracDer (const double eigenValue, const double fermiEnergy, const double kb, const double T)

Enumeration Type Documentation

mixingVariable

enum class dftefe::ksdft::mixingVariable

strong

Enum class that stores he list of variables that will can be used in the mixing scheme.

Enumerator
rho

Function Documentation

fermiDirac()

double dftefe::ksdft::fermiDirac	(	const double	eigenValue,
		const double	fermiEnergy,
		const double	kb,
		const double	T
	)

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fermiDiracDer()

double dftefe::ksdft::fermiDiracDer	(	const double	eigenValue,
		const double	fermiEnergy,
		const double	kb,
		const double	T
	)

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