lda_u_io_oct_m Module Reference

Functions/Subroutines
subroutine, public	lda_u_write_occupation_matrices (dir, this, st, namespace)
	Prints the occupation matrices at the end of the scf calculation. More...
subroutine, public	lda_u_write_effectiveu (dir, this, namespace)
subroutine, public	lda_u_write_kanamoriu (dir, st, this, namespace)
subroutine, public	lda_u_write_magnetization (dir, this, ions, mesh, st, namespace)
subroutine, public	lda_u_write_u (this, iunit, namespace)
subroutine, public	lda_u_write_v (this, iunit, namespace)
subroutine, public	lda_u_dump (restart, namespace, this, st, mesh, ierr)
subroutine, public	lda_u_load (restart, this, st, dftu_energy, ierr, occ_only, u_only)
subroutine	lda_u_dump_coulomb_integrals (this, namespace, restart, st, mesh, ierr)

Function/Subroutine Documentation

lda_u_write_occupation_matrices()

subroutine, public lda_u_io_oct_m::lda_u_write_occupation_matrices	(	character(len=*), intent(in)	dir,
		type(lda_u_t), intent(in)	this,
		type(states_elec_t), intent(in)	st,
		type(namespace_t), intent(in)	namespace
	)

Prints the occupation matrices at the end of the scf calculation.

Definition at line 156 of file lda_u_io.F90.

lda_u_write_effectiveu()

subroutine, public lda_u_io_oct_m::lda_u_write_effectiveu	(	character(len=*), intent(in)	dir,
		type(lda_u_t), intent(in)	this,
		type(namespace_t), intent(in)	namespace
	)

Definition at line 264 of file lda_u_io.F90.

lda_u_write_kanamoriu()

subroutine, public lda_u_io_oct_m::lda_u_write_kanamoriu	(	character(len=*), intent(in)	dir,
		type(states_elec_t), intent(in)	st,
		type(lda_u_t), intent(in)	this,
		type(namespace_t), intent(in)	namespace
	)

Definition at line 351 of file lda_u_io.F90.

lda_u_write_magnetization()

subroutine, public lda_u_io_oct_m::lda_u_write_magnetization	(	character(len=*), intent(in)	dir,
		type(lda_u_t), intent(in)	this,
		type(ions_t), intent(in)	ions,
		class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(in)	st,
		type(namespace_t), intent(in)	namespace
	)

Definition at line 482 of file lda_u_io.F90.

lda_u_write_u()

subroutine, public lda_u_io_oct_m::lda_u_write_u	(	type(lda_u_t), intent(in)	this,
		integer, intent(in), optional	iunit,
		type(namespace_t), intent(in), optional	namespace
	)

Definition at line 529 of file lda_u_io.F90.

lda_u_write_v()

subroutine, public lda_u_io_oct_m::lda_u_write_v	(	type(lda_u_t), intent(in)	this,
		integer, intent(in), optional	iunit,
		type(namespace_t), intent(in), optional	namespace
	)

Definition at line 578 of file lda_u_io.F90.

lda_u_dump()

subroutine, public lda_u_io_oct_m::lda_u_dump	(	type(restart_t), intent(in)	restart,
		type(namespace_t), intent(in)	namespace,
		type(lda_u_t), intent(in)	this,
		type(states_elec_t), intent(in)	st,
		class(mesh_t), intent(in)	mesh,
		integer, intent(out)	ierr
	)

Definition at line 645 of file lda_u_io.F90.

lda_u_load()

subroutine, public lda_u_io_oct_m::lda_u_load	(	type(restart_t), intent(in)	restart,
		type(lda_u_t), intent(inout)	this,
		type(states_elec_t), intent(in)	st,
		real(real64), intent(out)	dftu_energy,
		integer, intent(out)	ierr,
		logical, intent(in), optional	occ_only,
		logical, intent(in), optional	u_only
	)

Definition at line 730 of file lda_u_io.F90.

lda_u_dump_coulomb_integrals()

subroutine lda_u_io_oct_m::lda_u_dump_coulomb_integrals ( type(lda_u_t), intent(in)  this, type(namespace_t), intent(in)  namespace, type(restart_t), intent(in)  restart, type(states_elec_t), intent(in)  st, class(mesh_t), intent(in)  mesh, integer, intent(out)  ierr  )

private

Definition at line 834 of file lda_u_io.F90.