modelmb_density_matrix_oct_m Module Reference

Data Types
type	modelmb_denmat_t

Functions/Subroutines
subroutine, public	modelmb_density_matrix_init (dir, namespace, st, denmat)
subroutine, public	modelmb_density_matrix_end (this)
subroutine	dmf_calculate_gamma (ikeeppart, mb_1part, nparticles_densmat, mesh, psi, gamma)
subroutine, public	dmodelmb_density_matrix_write (space, mesh, st, wf, mm, denmat, namespace)
subroutine	zmf_calculate_gamma (ikeeppart, mb_1part, nparticles_densmat, mesh, psi, gamma)
subroutine, public	zmodelmb_density_matrix_write (space, mesh, st, wf, mm, denmat, namespace)

Function/Subroutine Documentation

modelmb_density_matrix_init()

subroutine, public modelmb_density_matrix_oct_m::modelmb_density_matrix_init	(	character(len=*), intent(in)	dir,
		type(namespace_t), intent(in)	namespace,
		type(states_elec_t), intent(in)	st,
		type(modelmb_denmat_t), intent(out)	denmat
	)

Definition at line 158 of file modelmb_density_matrix.F90.

modelmb_density_matrix_end()

subroutine, public modelmb_density_matrix_oct_m::modelmb_density_matrix_end

(

type(modelmb_denmat_t), intent(inout)

this

)

Definition at line 238 of file modelmb_density_matrix.F90.

dmf_calculate_gamma()

subroutine modelmb_density_matrix_oct_m::dmf_calculate_gamma ( integer, intent(in)  ikeeppart, type(modelmb_1part_t), intent(in)  mb_1part, integer, intent(in)  nparticles_densmat, type(mesh_t), intent(in)  mesh, real(real64), dimension(:), intent(in), contiguous  psi, real(real64), dimension(:, :), intent(out), contiguous  gamma  )

private

---

This routine calculates the one-body density matrix gamma for particle ikeeppart, used in higher dimensional model

hamiltonian calculations (MJV, NH)

Definition at line 323 of file modelmb_density_matrix.F90.

dmodelmb_density_matrix_write()

subroutine, public modelmb_density_matrix_oct_m::dmodelmb_density_matrix_write	(	class(space_t), intent(in)	space,
		type(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in)	st,
		real(real64), dimension(:), intent(in), contiguous	wf,
		integer, intent(in)	mm,
		type(modelmb_denmat_t), intent(in)	denmat,
		type(namespace_t), intent(in)	namespace
	)

Parameters

[in]

wf

(1:grmeshnp)

Definition at line 448 of file modelmb_density_matrix.F90.

zmf_calculate_gamma()

subroutine modelmb_density_matrix_oct_m::zmf_calculate_gamma ( integer, intent(in)  ikeeppart, type(modelmb_1part_t), intent(in)  mb_1part, integer, intent(in)  nparticles_densmat, type(mesh_t), intent(in)  mesh, complex(real64), dimension(:), intent(in), contiguous  psi, complex(real64), dimension(:, :), intent(out), contiguous  gamma  )

private

---

This routine calculates the one-body density matrix gamma for particle ikeeppart, used in higher dimensional model

hamiltonian calculations (MJV, NH)

Definition at line 696 of file modelmb_density_matrix.F90.

zmodelmb_density_matrix_write()

subroutine, public modelmb_density_matrix_oct_m::zmodelmb_density_matrix_write	(	class(space_t), intent(in)	space,
		type(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in)	st,
		complex(real64), dimension(:), intent(in), contiguous	wf,
		integer, intent(in)	mm,
		type(modelmb_denmat_t), intent(in)	denmat,
		type(namespace_t), intent(in)	namespace
	)

Parameters

[in]

wf

(1:grmeshnp)

Definition at line 821 of file modelmb_density_matrix.F90.