xc_interaction_oct_m Module Reference

Data Types
interface	xc_interaction_t

Functions/Subroutines
class(xc_interaction_t) function, pointer	xc_interaction_constructor (partner)
subroutine	xc_interaction_init (this)
subroutine	xc_interaction_calculate (this)
subroutine	xc_interaction_calculate_energy (this)
subroutine, public	xc_interaction_compute (this)
subroutine	xc_interaction_end (this)
subroutine	xc_interaction_finalize (this)
subroutine, public	calc_tb09_c (mesh, space, functl, dens, gdens, ispin, rcell_volume)
subroutine, public	calc_mvorb_alpha (mesh, namespace, space, functl, dens, gdens, ispin, rcell_volume, cam_alpha, cam_beta, cam_omega)

Variables
integer, parameter, public	func_x = 1
integer, parameter, public	func_c = 2

Function/Subroutine Documentation

xc_interaction_constructor()

class(xc_interaction_t) function, pointer xc_interaction_oct_m::xc_interaction_constructor ( class(interaction_partner_t), intent(inout), target  partner )

private

Definition at line 167 of file xc_interaction.F90.

xc_interaction_init()

subroutine xc_interaction_oct_m::xc_interaction_init ( class(xc_interaction_t), intent(inout)  this )

private

Definition at line 183 of file xc_interaction.F90.

xc_interaction_calculate()

subroutine xc_interaction_oct_m::xc_interaction_calculate ( class(xc_interaction_t), intent(inout)  this )

private

Definition at line 192 of file xc_interaction.F90.

xc_interaction_calculate_energy()

subroutine xc_interaction_oct_m::xc_interaction_calculate_energy ( class(xc_interaction_t), intent(inout)  this )

private

Definition at line 203 of file xc_interaction.F90.

xc_interaction_compute()

subroutine, public xc_interaction_oct_m::xc_interaction_compute

(

class(xc_interaction_t), intent(inout)

this

)

Definition at line 215 of file xc_interaction.F90.

xc_interaction_end()

subroutine xc_interaction_oct_m::xc_interaction_end ( class(xc_interaction_t), intent(inout)  this )

private

Definition at line 225 of file xc_interaction.F90.

xc_interaction_finalize()

subroutine xc_interaction_oct_m::xc_interaction_finalize ( type(xc_interaction_t), intent(inout)  this )

private

Definition at line 239 of file xc_interaction.F90.

calc_tb09_c()

subroutine, public xc_interaction_oct_m::calc_tb09_c	(	class(mesh_t), intent(in)	mesh,
		class(space_t), intent(in)	space,
		type(xc_functional_t), dimension(:), intent(inout)	functl,
		real(real64), dimension(:,:), intent(in)	dens,
		real(real64), dimension(:,:,:), intent(in)	gdens,
		integer, intent(in)	ispin,
		real(real64), intent(in)	rcell_volume
	)

Definition at line 250 of file xc_interaction.F90.

calc_mvorb_alpha()

subroutine, public xc_interaction_oct_m::calc_mvorb_alpha	(	class(mesh_t), intent(in)	mesh,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(xc_functional_t), dimension(:), intent(inout)	functl,
		real(real64), dimension(:,:), intent(in)	dens,
		real(real64), dimension(:,:,:), intent(in)	gdens,
		integer, intent(in)	ispin,
		real(real64), intent(in)	rcell_volume,
		real(real64), intent(inout)	cam_alpha,
		real(real64), intent(inout)	cam_beta,
		real(real64), intent(inout)	cam_omega
	)

Definition at line 293 of file xc_interaction.F90.

Variable Documentation

func_x

integer, parameter, public xc_interaction_oct_m::func_x = 1

Definition at line 159 of file xc_interaction.F90.

func_c

integer, parameter, public xc_interaction_oct_m::func_c = 2

Definition at line 159 of file xc_interaction.F90.