DFTSolver.src File Reference

Functions/Subroutines
subroutine	chargedensitysolver (Model, Solver, dt, TransientSimulation)
subroutine	localmatrix (STIFF, FORCE, Element, n, nd)
subroutine	wavefunctionsolver (Model, Solver, dt, TransientSimulation)
subroutine	localmatrix (STIFF, MASS, Element, n, nd, LocalPotential, LocalChargeDensity, xctype)
subroutine	poissonsolver (Model, Solver, dt, TransientSimulation)
subroutine	localmatrix (STIFF, FORCE, Element, n, nd, LocalChargeDensity, TotalCharge)
subroutine	grpulay3 (Solution, GlobSize, CalculatingRealSolution, StoreOnly)

Function/Subroutine Documentation

subroutine poissonsolver::grpulay3	(	real(kind=dp), dimension(:)	Solution,
		integer	GlobSize,
		logical	CalculatingRealSolution,
		logical	StoreOnly
	)

References messages::error(), messages::info(), and lusolve().

Referenced by poissonsolver().

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subroutine chargedensitysolver::localmatrix	(	real(kind=dp), dimension(:,:)	STIFF,
		real(kind=dp), dimension(:)	FORCE,
		type(element_t), pointer	Element,
		integer	n,
		integer	nd
	)

References coordinatesystems::coordinatesystemdimension(), elementdescription::elementinfo(), integration::gausspoints(), and defutils::getelementnodes().

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subroutine wavefunctionsolver::localmatrix	(	real(kind=dp), dimension(:,:)	STIFF,
		real(kind=dp), dimension(:,:)	MASS,
		type(element_t), pointer	Element,
		integer	n,
		integer	nd,
		real(kind=dp), dimension(:)	LocalPotential,
		real(kind=dp), dimension(:)	LocalChargeDensity,
		integer	xctype
	)

References coordinatesystems::coordinatesystemdimension(), elementdescription::elementinfo(), integration::gausspoints(), defutils::getelementnodes(), and exchangecorrelations::uxc().

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subroutine poissonsolver::localmatrix	(	real(kind=dp), dimension(:,:)	STIFF,
		real(kind=dp), dimension(:)	FORCE,
		type(element_t), pointer	Element,
		integer	n,
		integer	nd,
		real(kind=dp), dimension(:)	LocalChargeDensity,
		real(kind=dp)	TotalCharge
	)

References coordinatesystems::coordinatesystemdimension(), elementdescription::elementinfo(), integration::gausspoints(), and defutils::getelementnodes().

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