iao_types::iao_env_type Type Reference

Data Fields
logical	do_iao = .FALSE.
real(kind=dp)	eps_svd = 0.0_dp
real(kind=dp)	eps_occ = 0.0_dp
logical	do_charges = .FALSE.
logical	do_oce = .FALSE.
integer	lmax_oce = 0
integer	nbas_oce = 0
logical	append_oce = .FALSE.
logical	do_bondorbitals = .FALSE.
logical	do_center = .FALSE.
logical	pos_periodic = .FALSE.
integer	loc_operator = 0
integer	eloc_function = 0
real(kind=dp)	eloc_weight = 0.0_dp
logical	molden_iao = .FALSE.
logical	molden_ibo = .FALSE.
logical	cubes_iao = .FALSE.
logical	cubes_ibo = .FALSE.
type(section_vals_type), pointer	iao_cubes_section => NULL()
type(section_vals_type), pointer	iao_molden_section => NULL()
type(section_vals_type), pointer	ibo_cubes_section => NULL()
type(section_vals_type), pointer	ibo_molden_section => NULL()
type(section_vals_type), pointer	ibo_cc_section => NULL()
logical	do_fragments = .FALSE.
integer	nfrags = 0

Detailed Description

Definition at line 60 of file iao_types.F.

Field Documentation

do_iao

logical iao_types::iao_env_type::do_iao = .FALSE.

Definition at line 61 of file iao_types.F.

eps_svd

real(kind=dp) iao_types::iao_env_type::eps_svd = 0.0_dp

Definition at line 63 of file iao_types.F.

eps_occ

real(kind=dp) iao_types::iao_env_type::eps_occ = 0.0_dp

Definition at line 64 of file iao_types.F.

do_charges

logical iao_types::iao_env_type::do_charges = .FALSE.

Definition at line 66 of file iao_types.F.

do_oce

logical iao_types::iao_env_type::do_oce = .FALSE.

Definition at line 68 of file iao_types.F.

lmax_oce

integer iao_types::iao_env_type::lmax_oce = 0

Definition at line 69 of file iao_types.F.

nbas_oce

integer iao_types::iao_env_type::nbas_oce = 0

Definition at line 70 of file iao_types.F.

append_oce

logical iao_types::iao_env_type::append_oce = .FALSE.

Definition at line 71 of file iao_types.F.

do_bondorbitals

logical iao_types::iao_env_type::do_bondorbitals = .FALSE.

Definition at line 73 of file iao_types.F.

do_center

logical iao_types::iao_env_type::do_center = .FALSE.

Definition at line 75 of file iao_types.F.

pos_periodic

logical iao_types::iao_env_type::pos_periodic = .FALSE.

Definition at line 76 of file iao_types.F.

loc_operator

integer iao_types::iao_env_type::loc_operator = 0

Definition at line 77 of file iao_types.F.

eloc_function

integer iao_types::iao_env_type::eloc_function = 0

Definition at line 78 of file iao_types.F.

eloc_weight

real(kind=dp) iao_types::iao_env_type::eloc_weight = 0.0_dp

Definition at line 79 of file iao_types.F.

molden_iao

logical iao_types::iao_env_type::molden_iao = .FALSE.

Definition at line 81 of file iao_types.F.

molden_ibo

logical iao_types::iao_env_type::molden_ibo = .FALSE.

Definition at line 82 of file iao_types.F.

cubes_iao

logical iao_types::iao_env_type::cubes_iao = .FALSE.

Definition at line 84 of file iao_types.F.

cubes_ibo

logical iao_types::iao_env_type::cubes_ibo = .FALSE.

Definition at line 85 of file iao_types.F.

iao_cubes_section

type(section_vals_type), pointer iao_types::iao_env_type::iao_cubes_section => NULL()

Definition at line 87 of file iao_types.F.

iao_molden_section

type(section_vals_type), pointer iao_types::iao_env_type::iao_molden_section => NULL()

Definition at line 87 of file iao_types.F.

ibo_cubes_section

type(section_vals_type), pointer iao_types::iao_env_type::ibo_cubes_section => NULL()

Definition at line 87 of file iao_types.F.

ibo_molden_section

type(section_vals_type), pointer iao_types::iao_env_type::ibo_molden_section => NULL()

Definition at line 87 of file iao_types.F.

ibo_cc_section

type(section_vals_type), pointer iao_types::iao_env_type::ibo_cc_section => NULL()

Definition at line 87 of file iao_types.F.

do_fragments

logical iao_types::iao_env_type::do_fragments = .FALSE.

Definition at line 93 of file iao_types.F.

nfrags

integer iao_types::iao_env_type::nfrags = 0

Definition at line 94 of file iao_types.F.

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The documentation for this type was generated from the following file:

• iao_types.F