simplex_oct_m::simplex_t Interface Reference

Detailed Description

Definition at line 146 of file simplex.F90.

Private Member Functions
final	simplex_end
type(simplex_t) function, pointer	simplex_init (dim, naxis, nshifts, shift, kpoints, equiv, opt)
	Constructor for linear simplex methods. More...

Private Attributes
integer	rdim
	reduced dimension of the problem (non-zero dimensions in k-space) More...
integer	sdim
	dimension of the simplex More...
integer	n_simplices
	number of simplices More...
integer, dimension(:,:), allocatable	simplices
	simplices More...

Member Function/Subroutine Documentation

simplex_end()

final simplex_oct_m::simplex_t::simplex_end

finalprivate

Definition at line 152 of file simplex.F90.

simplex_init()

type(simplex_t) function, pointer simplex_oct_m::simplex_t::simplex_init ( integer, intent(in)  dim, integer, dimension(1:dim), intent(in)  naxis, integer, intent(in)  nshifts, real(real64), dimension(:,:), intent(in)  shift, real(real64), dimension(:,:), intent(in)  kpoints, integer, dimension(:), intent(in)  equiv, logical, intent(in)  opt  )

private

Constructor for linear simplex methods.

At the moment this performs a dumb tetrahedrization of the BZ by converting the coordinates of k-points back into integer triples. This only works for a two- and three-dimensional BZ and if there is only a single shift. Both of these conditions are ASSERTed.

Parameters

[in]	dim	Dimension of the system
[in]	naxis	Number of k-points along each dimension
[in]	nshift	Number of shifts
[in]	shift	Shifts along each dimension
[in]	kpoints	Grid of k-points in the unreduced BZ
[in]	equiv	Mapping of k-point indices in the full BZ to the reduced BZ
[in]	opt	Whether to use the improved tetrahedron method

Returns

New linear simplex method instance

Definition at line 176 of file simplex.F90.

Member Data Documentation

rdim

integer simplex_oct_m::simplex_t::rdim

private

reduced dimension of the problem (non-zero dimensions in k-space)

Definition at line 147 of file simplex.F90.

sdim

integer simplex_oct_m::simplex_t::sdim

private

dimension of the simplex

Definition at line 148 of file simplex.F90.

n_simplices

integer simplex_oct_m::simplex_t::n_simplices

private

number of simplices

Definition at line 149 of file simplex.F90.

simplices

integer, dimension(:,:), allocatable simplex_oct_m::simplex_t::simplices

private

simplices

Definition at line 150 of file simplex.F90.

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

• electrons/simplex.F90