curv_gygi_oct_m Module Reference

This module implements the curvilinear coordinates given in F. Gygi and G. Galli, PRB 52 R2229 (1996). More...

Detailed Description

This module implements the curvilinear coordinates given in F. Gygi and G. Galli, PRB 52 R2229 (1996).

Data Types
interface	curv_gygi_t

Functions/Subroutines
class(curv_gygi_t) function, pointer	curv_gygi_constructor (namespace, dim, npos, pos)
subroutine, public	curv_gygi_copy (this_out, this_in)
subroutine	curv_gygi_finalize (this)
real(real64) function, dimension(1:this%dim)	curv_gygi_to_cartesian (this, chi)
pure real(real64) function, dimension(1:this%dim)	curv_gygi_from_cartesian (this, xx)
real(real64) function	curv_gygi_det_jac (this, xx, chi)
subroutine	curv_gygi_write_info (this, iunit, namespace)
real(real64) function	curv_gygi_surface_element (this, idir)
pure subroutine	curv_gygi_jacobian (this, xx, chi, jac, natoms)
pure subroutine	getf (y, f, jf)

Variables
class(curv_gygi_t), pointer	gygi_p
integer	i_p
real(real64), dimension(:), allocatable	chi_p

Function/Subroutine Documentation

curv_gygi_constructor()

class(curv_gygi_t) function, pointer curv_gygi_oct_m::curv_gygi_constructor ( type(namespace_t), intent(in)  namespace, integer, intent(in)  dim, integer, intent(in)  npos, real(real64), dimension(1:dim,1:npos), intent(in)  pos  )

private

Definition at line 168 of file curv_gygi.F90.

curv_gygi_copy()

subroutine, public curv_gygi_oct_m::curv_gygi_copy	(	type(curv_gygi_t), intent(inout)	this_out,
		type(curv_gygi_t), intent(in)	this_in
	)

Definition at line 237 of file curv_gygi.F90.

curv_gygi_finalize()

subroutine curv_gygi_oct_m::curv_gygi_finalize ( type(curv_gygi_t), intent(inout)  this )

private

Definition at line 253 of file curv_gygi.F90.

curv_gygi_to_cartesian()

real(real64) function, dimension(1:this%dim) curv_gygi_oct_m::curv_gygi_to_cartesian ( class(curv_gygi_t), intent(in), target  this, real(real64), dimension(:), intent(in)  chi  )

private

Parameters

[in]

chi

chi(dim)

Definition at line 264 of file curv_gygi.F90.

curv_gygi_from_cartesian()

pure real(real64) function, dimension(1:this%dim) curv_gygi_oct_m::curv_gygi_from_cartesian ( class(curv_gygi_t), intent(in), target  this, real(real64), dimension(:), intent(in)  xx  )

private

Parameters

[in]

xx

xx(dim)

Definition at line 304 of file curv_gygi.F90.

curv_gygi_det_jac()

real(real64) function curv_gygi_oct_m::curv_gygi_det_jac ( class(curv_gygi_t), intent(in)  this, real(real64), dimension(:), intent(in)  xx, real(real64), dimension(:), intent(in)  chi  )

private

Parameters

[in]	xx	xx(dim)
[in]	chi	chi(dim)

Definition at line 328 of file curv_gygi.F90.

curv_gygi_write_info()

subroutine curv_gygi_oct_m::curv_gygi_write_info ( class(curv_gygi_t), intent(in)  this, integer, intent(in), optional  iunit, type(namespace_t), intent(in), optional  namespace  )

private

Definition at line 344 of file curv_gygi.F90.

curv_gygi_surface_element()

real(real64) function curv_gygi_oct_m::curv_gygi_surface_element ( class(curv_gygi_t), intent(in)  this, integer, intent(in)  idir  )

private

Definition at line 364 of file curv_gygi.F90.

curv_gygi_jacobian()

pure subroutine curv_gygi_oct_m::curv_gygi_jacobian ( class(curv_gygi_t), intent(in)  this, real(real64), dimension(:), intent(in)  xx, real(real64), dimension(:), intent(out)  chi, real(real64), dimension(:, :), intent(out)  jac, integer, intent(in), optional  natoms  )

private

Parameters

[in]	xx	x(dim)
[out]	chi	chi(dim)
[out]	jac	jac(dim,dim), the Jacobian

Definition at line 375 of file curv_gygi.F90.

getf()

pure subroutine curv_gygi_oct_m::getf ( real(real64), dimension(:), intent(in)  y, real(real64), dimension(:), intent(out)  f, real(real64), dimension(:, :), intent(out)  jf  )

private

Definition at line 417 of file curv_gygi.F90.

Variable Documentation

gygi_p

class(curv_gygi_t), pointer curv_gygi_oct_m::gygi_p

private

Definition at line 161 of file curv_gygi.F90.

i_p

integer curv_gygi_oct_m::i_p

private

Definition at line 162 of file curv_gygi.F90.

chi_p

real(real64), dimension(:), allocatable curv_gygi_oct_m::chi_p

private

Definition at line 163 of file curv_gygi.F90.