states_elec_restart_oct_m Module Reference

This module handles reading and writing restart information for the states_elec_t. More...

Detailed Description

This module handles reading and writing restart information for the states_elec_t.

Functions/Subroutines
subroutine, public	states_elec_look_and_load (restart, namespace, space, st, mesh, kpoints, is_complex, packed)
subroutine, public	states_elec_dump (restart, space, st, mesh, kpoints, ierr, iter, lr, st_start_writing, verbose)
subroutine, public	states_elec_load (restart, namespace, space, st, mesh, kpoints, ierr, iter, lr, lowest_missing, label, verbose, skip)
	returns in ierr: <0 => Fatal error, or nothing read =0 => read all wavefunctions >0 => could only read ierr wavefunctions More...
subroutine, public	states_elec_dump_rho (restart, space, st, mesh, ierr, iter)
subroutine, public	states_elec_load_rho (restart, space, st, mesh, ierr)
subroutine, public	states_elec_dump_frozen (restart, space, st, mesh, ierr)
subroutine, public	states_elec_load_frozen (restart, space, st, mesh, ierr)
subroutine, public	states_elec_read_user_def_orbitals (mesh, namespace, space, st)
	the routine reads formulas for user-defined wavefunctions from the input file and fills the respective orbitals More...
subroutine, public	states_elec_dump_spin (restart, st, ierr)
subroutine, public	states_elec_load_spin (restart, st, ierr)
	returns in ierr: <0 => Fatal error, or nothing read =0 => read all wavefunctions >0 => could only read ierr wavefunctions More...
subroutine, public	states_elec_transform (st, namespace, space, restart, mesh, kpoints, prefix)

Function/Subroutine Documentation

states_elec_look_and_load()

subroutine, public states_elec_restart_oct_m::states_elec_look_and_load	(	type(restart_t), intent(in)	restart,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(states_elec_t), intent(inout), target	st,
		class(mesh_t), intent(in)	mesh,
		type(kpoints_t), intent(in)	kpoints,
		logical, intent(in), optional	is_complex,
		logical, intent(in), optional	packed
	)

Parameters

[in]

packed

Do we allocate packed wavefunctions or not. False means not on GPU

Definition at line 166 of file states_elec_restart.F90.

states_elec_dump()

subroutine, public states_elec_restart_oct_m::states_elec_dump	(	type(restart_t), intent(in)	restart,
		class(space_t), intent(in)	space,
		type(states_elec_t), intent(in)	st,
		class(mesh_t), intent(in)	mesh,
		type(kpoints_t), intent(in)	kpoints,
		integer, intent(out)	ierr,
		integer, intent(in), optional	iter,
		type(lr_t), intent(in), optional	lr,
		integer, intent(in), optional	st_start_writing,
		logical, intent(in), optional	verbose
	)

Parameters

[in]

lr

if this next argument is present, the lr wfs are stored instead of the gs wfs

Definition at line 244 of file states_elec_restart.F90.

states_elec_load()

subroutine, public states_elec_restart_oct_m::states_elec_load	(	type(restart_t), intent(in)	restart,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(states_elec_t), intent(inout)	st,
		class(mesh_t), intent(in)	mesh,
		type(kpoints_t), intent(in)	kpoints,
		integer, intent(out)	ierr,
		integer, intent(out), optional	iter,
		type(lr_t), intent(inout), optional	lr,
		integer, dimension(:, :), intent(out), optional	lowest_missing,
		character(len=*), intent(in), optional	label,
		logical, intent(in), optional	verbose,
		logical, dimension(:), intent(in), optional	skip
	)

returns in ierr: <0 => Fatal error, or nothing read =0 => read all wavefunctions >0 => could only read ierr wavefunctions

Parameters

[in,out]	lr	if present, the lr wfs are read instead of the gs wfs
[out]	lowest_missing	all states below this one were read successfully
[in]	skip	A mask for reading or skipping the states. For expert use only.

Definition at line 433 of file states_elec_restart.F90.

states_elec_dump_rho()

subroutine, public states_elec_restart_oct_m::states_elec_dump_rho	(	type(restart_t), intent(in)	restart,
		class(space_t), intent(in)	space,
		type(states_elec_t), intent(in)	st,
		class(mesh_t), intent(in)	mesh,
		integer, intent(out)	ierr,
		integer, intent(in), optional	iter
	)

Definition at line 870 of file states_elec_restart.F90.

states_elec_load_rho()

subroutine, public states_elec_restart_oct_m::states_elec_load_rho	(	type(restart_t), intent(in)	restart,
		class(space_t), intent(in)	space,
		type(states_elec_t), intent(inout)	st,
		class(mesh_t), intent(in)	mesh,
		integer, intent(out)	ierr
	)

Definition at line 945 of file states_elec_restart.F90.

states_elec_dump_frozen()

subroutine, public states_elec_restart_oct_m::states_elec_dump_frozen	(	type(restart_t), intent(in)	restart,
		class(space_t), intent(in)	space,
		type(states_elec_t), intent(in)	st,
		class(mesh_t), intent(in)	mesh,
		integer, intent(out)	ierr
	)

Definition at line 1001 of file states_elec_restart.F90.

states_elec_load_frozen()

subroutine, public states_elec_restart_oct_m::states_elec_load_frozen	(	type(restart_t), intent(in)	restart,
		class(space_t), intent(in)	space,
		type(states_elec_t), intent(inout)	st,
		class(mesh_t), intent(in)	mesh,
		integer, intent(out)	ierr
	)

Definition at line 1088 of file states_elec_restart.F90.

states_elec_read_user_def_orbitals()

subroutine, public states_elec_restart_oct_m::states_elec_read_user_def_orbitals	(	class(mesh_t), intent(in)	mesh,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(states_elec_t), intent(inout)	st
	)

the routine reads formulas for user-defined wavefunctions from the input file and fills the respective orbitals

Definition at line 1172 of file states_elec_restart.F90.

states_elec_dump_spin()

subroutine, public states_elec_restart_oct_m::states_elec_dump_spin	(	type(restart_t), intent(in)	restart,
		type(states_elec_t), intent(in)	st,
		integer, intent(out)	ierr
	)

Definition at line 1377 of file states_elec_restart.F90.

states_elec_load_spin()

subroutine, public states_elec_restart_oct_m::states_elec_load_spin	(	type(restart_t), intent(in)	restart,
		type(states_elec_t), intent(inout)	st,
		integer, intent(out)	ierr
	)

returns in ierr: <0 => Fatal error, or nothing read =0 => read all wavefunctions >0 => could only read ierr wavefunctions

Definition at line 1434 of file states_elec_restart.F90.

states_elec_transform()

subroutine, public states_elec_restart_oct_m::states_elec_transform	(	type(states_elec_t), intent(inout)	st,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(restart_t), intent(inout)	restart,
		class(mesh_t), intent(in)	mesh,
		type(kpoints_t), intent(in)	kpoints,
		character(len=*), intent(in), optional	prefix
	)

Definition at line 1497 of file states_elec_restart.F90.