lattice_vectors_oct_m Module Reference

Data Types
interface	lattice_iterator_t
	The following class implements a lattice iterator. It allows one to loop over all cells that are within a certain range. At the moment this range is determined using a norm-1. More...
interface	lattice_vectors_t

Functions/Subroutines
type(lattice_vectors_t) function	lattice_vectors_constructor_from_rlattice (namespace, space, rlattice)
type(lattice_vectors_t) function	lattice_vectors_constructor_from_input (namespace, space, variable_prefix)
subroutine	angles_from_rlattice_primitive (rlattice_primitive, alpha, beta, gamma)
subroutine	lattice_vectors_copy (this, source)
subroutine	lattice_vectors_finalize (this)
subroutine	lattice_vectors_scale (this, factor)
subroutine	lattice_vectors_update (this, rlattice)
	Updates the lattice vector object from a new set of Cartesian lattice vectors. More...
pure real(real64) function, dimension(this%space%dim)	lattice_vectors_cart_to_red (this, xx_cart)
pure real(real64) function, dimension(this%space%dim)	lattice_vectors_red_to_cart (this, xx_red)
real(real64) function, dimension(this%space%dim)	lattice_vectors_fold_into_cell (this, xx)
subroutine	lattice_vectors_write_info (this, namespace)
character(len=140) function	lattice_vectors_short_info (this, unit_length)
real(real64) function	lattice_vectors_max_length (this)
subroutine	build_metric_from_angles (this, angles)
subroutine	reciprocal_lattice (rv, kv, volume, dim, namespace)
type(lattice_iterator_t) function	lattice_iterator_constructor (latt, range, center)
subroutine	lattice_iterator_copy (this, source)
real(real64) function, dimension(1:this%latt%space%dim)	lattice_iterator_get (this, ii)
subroutine	lattice_iterator_finalize (this)

Variables
real(real64), parameter	eps = 100.0_real64 * M_EPSILON

Function/Subroutine Documentation

lattice_vectors_constructor_from_rlattice()

type(lattice_vectors_t) function lattice_vectors_oct_m::lattice_vectors_constructor_from_rlattice ( type(namespace_t), intent(in)  namespace, class(space_t), intent(in)  space, real(real64), dimension(:, :), intent(in)  rlattice  )

private

Definition at line 194 of file lattice_vectors.F90.

lattice_vectors_constructor_from_input()

type(lattice_vectors_t) function lattice_vectors_oct_m::lattice_vectors_constructor_from_input ( type(namespace_t), intent(in)  namespace, class(space_t), intent(in)  space, character(len=*), intent(in), optional  variable_prefix  )

private

Definition at line 243 of file lattice_vectors.F90.

angles_from_rlattice_primitive()

subroutine lattice_vectors_oct_m::angles_from_rlattice_primitive ( real(real64), dimension(1:3, 1:3), intent(in)  rlattice_primitive, real(real64), intent(out)  alpha, real(real64), intent(out)  beta, real(real64), intent(out)  gamma  )

private

Definition at line 408 of file lattice_vectors.F90.

lattice_vectors_copy()

subroutine lattice_vectors_oct_m::lattice_vectors_copy ( class(lattice_vectors_t), intent(out)  this, class(lattice_vectors_t), intent(in)  source  )

private

Definition at line 427 of file lattice_vectors.F90.

lattice_vectors_finalize()

subroutine lattice_vectors_oct_m::lattice_vectors_finalize ( type(lattice_vectors_t), intent(inout)  this )

private

Definition at line 448 of file lattice_vectors.F90.

lattice_vectors_scale()

subroutine lattice_vectors_oct_m::lattice_vectors_scale ( class(lattice_vectors_t), intent(inout)  this, real(real64), dimension(this%space%dim), intent(in)  factor  )

private

Definition at line 463 of file lattice_vectors.F90.

lattice_vectors_update()

subroutine lattice_vectors_oct_m::lattice_vectors_update ( class(lattice_vectors_t), intent(inout)  this, real(real64), dimension(this%space%dim, this%space%dim), intent(in)  rlattice  )

private

Updates the lattice vector object from a new set of Cartesian lattice vectors.

Definition at line 485 of file lattice_vectors.F90.

lattice_vectors_cart_to_red()

pure real(real64) function, dimension(this%space%dim) lattice_vectors_oct_m::lattice_vectors_cart_to_red ( class(lattice_vectors_t), intent(in)  this, real(real64), dimension(this%space%dim), intent(in)  xx_cart  )

private

Definition at line 523 of file lattice_vectors.F90.

lattice_vectors_red_to_cart()

pure real(real64) function, dimension(this%space%dim) lattice_vectors_oct_m::lattice_vectors_red_to_cart ( class(lattice_vectors_t), intent(in)  this, real(real64), dimension(this%space%dim), intent(in)  xx_red  )

private

Definition at line 533 of file lattice_vectors.F90.

lattice_vectors_fold_into_cell()

real(real64) function, dimension(this%space%dim) lattice_vectors_oct_m::lattice_vectors_fold_into_cell ( class(lattice_vectors_t), intent(in)  this, real(real64), dimension(this%space%dim), intent(in)  xx  )

private

Definition at line 543 of file lattice_vectors.F90.

lattice_vectors_write_info()

subroutine lattice_vectors_oct_m::lattice_vectors_write_info ( class(lattice_vectors_t), intent(in)  this, type(namespace_t), intent(in)  namespace  )

private

Definition at line 581 of file lattice_vectors.F90.

lattice_vectors_short_info()

character(len=140) function lattice_vectors_oct_m::lattice_vectors_short_info ( class(lattice_vectors_t), intent(in)  this, type(unit_t), intent(in)  unit_length  )

private

Definition at line 633 of file lattice_vectors.F90.

lattice_vectors_max_length()

real(real64) function lattice_vectors_oct_m::lattice_vectors_max_length ( class(lattice_vectors_t), intent(in)  this )

private

Definition at line 658 of file lattice_vectors.F90.

build_metric_from_angles()

subroutine lattice_vectors_oct_m::build_metric_from_angles ( type(lattice_vectors_t), intent(inout)  this, real(real64), dimension(3), intent(in)  angles  )

private

Definition at line 673 of file lattice_vectors.F90.

reciprocal_lattice()

subroutine lattice_vectors_oct_m::reciprocal_lattice ( real(real64), dimension(:, :), intent(in)  rv, real(real64), dimension(:, :), intent(out)  kv, real(real64), intent(out)  volume, integer, intent(in)  dim, type(namespace_t), intent(in), optional  namespace  )

private

Parameters

[in]	rv	(1:dim, 1:dim)
[out]	kv	(1:dim, 1:dim)

Definition at line 719 of file lattice_vectors.F90.

lattice_iterator_constructor()

type(lattice_iterator_t) function lattice_vectors_oct_m::lattice_iterator_constructor ( type(lattice_vectors_t), intent(in), target  latt, real(real64), intent(in)  range, real(real64), dimension(:), intent(in), optional  center  )

private

Parameters

[in]

center

reduced coordinates of the center

Definition at line 777 of file lattice_vectors.F90.

lattice_iterator_copy()

subroutine lattice_vectors_oct_m::lattice_iterator_copy ( class(lattice_iterator_t), intent(out)  this, class(lattice_iterator_t), intent(in)  source  )

private

Definition at line 868 of file lattice_vectors.F90.

lattice_iterator_get()

real(real64) function, dimension(1:this%latt%space%dim) lattice_vectors_oct_m::lattice_iterator_get ( class(lattice_iterator_t), intent(in)  this, integer, intent(in)  ii  )

private

---

This function returns the Cartesian coordinates of point 'ii'

Definition at line 883 of file lattice_vectors.F90.

lattice_iterator_finalize()

subroutine lattice_vectors_oct_m::lattice_iterator_finalize ( type(lattice_iterator_t), intent(inout)  this )

private

Definition at line 897 of file lattice_vectors.F90.

Variable Documentation

eps

real(real64), parameter lattice_vectors_oct_m::eps = 100.0_real64 * M_EPSILON

private

Definition at line 189 of file lattice_vectors.F90.