atom_types::atom_sgppot_type Type Reference

Data Fields
character(len=2)	symbol = ""
character(len=default_string_length)	pname = ""
integer, dimension(0:lmat)	econf = 0
real(dp)	zion = 0.0_dp
integer	lmax = 0
logical	has_nonlocal = .FALSE.
integer	n_nonlocal = 0
logical, dimension(0:5)	is_nonlocal = .FALSE.
real(kind=dp), dimension(nmax)	a_nonlocal = 0.0_dp
real(kind=dp), dimension(nmax, 0:lmat)	h_nonlocal = 0.0_dp
real(kind=dp), dimension(nmax, nmax, 0:lmat)	c_nonlocal = 0.0_dp
integer	n_local = 0
real(kind=dp)	ac_local = 0.0_dp
real(kind=dp), dimension(nmax)	a_local = 0.0_dp
real(kind=dp), dimension(nmax)	c_local = 0.0_dp
logical	has_nlcc = .FALSE.
integer	n_nlcc = 0
real(kind=dp), dimension(nmax)	a_nlcc = 0.0_dp
real(kind=dp), dimension(nmax)	c_nlcc = 0.0_dp

Detailed Description

Definition at line 146 of file atom_types.F.

Field Documentation

symbol

character(len=2) atom_types::atom_sgppot_type::symbol = ""

Definition at line 147 of file atom_types.F.

pname

character(len=default_string_length) atom_types::atom_sgppot_type::pname = ""

Definition at line 148 of file atom_types.F.

econf

integer, dimension(0:lmat) atom_types::atom_sgppot_type::econf = 0

Definition at line 149 of file atom_types.F.

zion

real(dp) atom_types::atom_sgppot_type::zion = 0.0_dp

Definition at line 150 of file atom_types.F.

lmax

integer atom_types::atom_sgppot_type::lmax = 0

Definition at line 151 of file atom_types.F.

has_nonlocal

logical atom_types::atom_sgppot_type::has_nonlocal = .FALSE.

Definition at line 152 of file atom_types.F.

n_nonlocal

integer atom_types::atom_sgppot_type::n_nonlocal = 0

Definition at line 153 of file atom_types.F.

is_nonlocal

logical, dimension(0:5) atom_types::atom_sgppot_type::is_nonlocal = .FALSE.

Definition at line 154 of file atom_types.F.

a_nonlocal

real(kind=dp), dimension(nmax) atom_types::atom_sgppot_type::a_nonlocal = 0.0_dp

Definition at line 155 of file atom_types.F.

h_nonlocal

real(kind=dp), dimension(nmax, 0:lmat) atom_types::atom_sgppot_type::h_nonlocal = 0.0_dp

Definition at line 156 of file atom_types.F.

c_nonlocal

real(kind=dp), dimension(nmax, nmax, 0:lmat) atom_types::atom_sgppot_type::c_nonlocal = 0.0_dp

Definition at line 157 of file atom_types.F.

n_local

integer atom_types::atom_sgppot_type::n_local = 0

Definition at line 158 of file atom_types.F.

ac_local

real(kind=dp) atom_types::atom_sgppot_type::ac_local = 0.0_dp

Definition at line 159 of file atom_types.F.

a_local

real(kind=dp), dimension(nmax) atom_types::atom_sgppot_type::a_local = 0.0_dp

Definition at line 160 of file atom_types.F.

c_local

real(kind=dp), dimension(nmax) atom_types::atom_sgppot_type::c_local = 0.0_dp

Definition at line 161 of file atom_types.F.

has_nlcc

logical atom_types::atom_sgppot_type::has_nlcc = .FALSE.

Definition at line 162 of file atom_types.F.

n_nlcc

integer atom_types::atom_sgppot_type::n_nlcc = 0

Definition at line 163 of file atom_types.F.

a_nlcc

real(kind=dp), dimension(nmax) atom_types::atom_sgppot_type::a_nlcc = 0.0_dp

Definition at line 164 of file atom_types.F.

c_nlcc

real(kind=dp), dimension(nmax) atom_types::atom_sgppot_type::c_nlcc = 0.0_dp

Definition at line 165 of file atom_types.F.

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

• atom_types.F