39 logical,
public :: what(MAX_OUTPUT_TYPES)
44 integer :: ks_multipoles
55 integer :: vxc_diag_nmin
56 integer :: vxc_diag_nmax
57 integer :: vxc_offdiag_nmin
58 integer :: vxc_offdiag_nmax
60 character(len=80) :: wfn_filename
61 logical :: calc_exchange
62 logical :: calc_vmtxel
63 integer :: vmtxel_ncband
64 integer :: vmtxel_nvband
65 real(real64) :: vmtxel_polarization(3)
74 logical,
public :: what(MAX_OUTPUT_TYPES)
75 integer(int64),
public :: how(0:MAX_OUTPUT_TYPES)
77 type(output_me_t) :: me
80 integer,
public :: output_interval(0:MAX_OUTPUT_TYPES)
81 integer,
public :: restart_write_interval
82 logical,
public :: duringscf
83 character(len=80),
public :: wfs_list
84 character(len=MAX_PATH_LEN),
public :: iter_dir
86 type(mesh_plane_t) :: plane
87 type(mesh_line_t) :: line
89 type(output_bgw_t) :: bgw
101 class(output_t),
intent(in) :: this
102 integer(int64),
intent(in) :: what_id
103 integer,
intent(in) :: iter
108 if ((what_id > 0) .and. (this%output_interval(what_id) > 0))
then
109 if (this%what(what_id) .and. (iter == -1 .or. mod(iter, this%output_interval(what_id)) == 0))
then
119 class(output_t),
intent(in) :: this
120 integer,
intent(in) :: iter
122 integer(int64) :: what_it
127 do what_it = lbound(this%output_interval, 1), ubound(this%output_interval, 1)
128 if (this%what_now(what_it, iter))
then
139 character(len=*),
intent(in) :: output
140 integer,
intent(in) :: nspin
141 integer,
intent(in) :: spin_index
142 character(len=MAX_PATH_LEN) :: filename
145 write(filename, fmt=
'(a)') trim(output)
147 write(filename, fmt=
'(a,a,i1)') trim(output),
'-sp', spin_index
This module defines the meshes, which are used in Octopus.
this module contains the low-level part of the output system
character(len=max_path_len) function, public get_filename_with_spin(output, nspin, spin_index)
Returns the filame as output, or output-spX is spin polarized.
logical function output_what_now(this, what_id, iter)
logical function output_anything_now(this, iter)
return true if any output is to be written now
Output information for BerkeleyGW.
Output information for matrix elements.