atom_sgp::atom_sgp_potential_type Type Reference

Data Fields
logical	has_nonlocal = .FALSE.
integer	n_nonlocal = 0
integer	lmax = 0
logical, dimension(0:5)	is_nonlocal = .FALSE.
real(kind=dp), dimension(:), pointer	a_nonlocal => Null()
real(kind=dp), dimension(:, :), pointer	h_nonlocal => Null()
real(kind=dp), dimension(:, :, :), pointer	c_nonlocal => Null()
logical	has_local = .FALSE.
integer	n_local = 0
real(kind=dp)	zval = 0.0_dp
real(kind=dp)	ac_local = 0.0_dp
real(kind=dp), dimension(:), pointer	a_local => Null()
real(kind=dp), dimension(:), pointer	c_local => Null()
logical	has_nlcc = .FALSE.
integer	n_nlcc = 0
real(kind=dp), dimension(:), pointer	a_nlcc => Null()
real(kind=dp), dimension(:), pointer	c_nlcc => Null()

Detailed Description

Definition at line 40 of file atom_sgp.F.

Field Documentation

has_nonlocal

logical atom_sgp::atom_sgp_potential_type::has_nonlocal = .FALSE.

Definition at line 41 of file atom_sgp.F.

n_nonlocal

integer atom_sgp::atom_sgp_potential_type::n_nonlocal = 0

Definition at line 42 of file atom_sgp.F.

lmax

integer atom_sgp::atom_sgp_potential_type::lmax = 0

Definition at line 43 of file atom_sgp.F.

is_nonlocal

logical, dimension(0:5) atom_sgp::atom_sgp_potential_type::is_nonlocal = .FALSE.

Definition at line 44 of file atom_sgp.F.

a_nonlocal

real(kind=dp), dimension(:), pointer atom_sgp::atom_sgp_potential_type::a_nonlocal => Null()

Definition at line 45 of file atom_sgp.F.

h_nonlocal

real(kind=dp), dimension(:, :), pointer atom_sgp::atom_sgp_potential_type::h_nonlocal => Null()

Definition at line 46 of file atom_sgp.F.

c_nonlocal

real(kind=dp), dimension(:, :, :), pointer atom_sgp::atom_sgp_potential_type::c_nonlocal => Null()

Definition at line 47 of file atom_sgp.F.

has_local

logical atom_sgp::atom_sgp_potential_type::has_local = .FALSE.

Definition at line 48 of file atom_sgp.F.

n_local

integer atom_sgp::atom_sgp_potential_type::n_local = 0

Definition at line 49 of file atom_sgp.F.

zval

real(kind=dp) atom_sgp::atom_sgp_potential_type::zval = 0.0_dp

Definition at line 50 of file atom_sgp.F.

ac_local

real(kind=dp) atom_sgp::atom_sgp_potential_type::ac_local = 0.0_dp

Definition at line 51 of file atom_sgp.F.

a_local

real(kind=dp), dimension(:), pointer atom_sgp::atom_sgp_potential_type::a_local => Null()

Definition at line 52 of file atom_sgp.F.

c_local

real(kind=dp), dimension(:), pointer atom_sgp::atom_sgp_potential_type::c_local => Null()

Definition at line 53 of file atom_sgp.F.

has_nlcc

logical atom_sgp::atom_sgp_potential_type::has_nlcc = .FALSE.

Definition at line 54 of file atom_sgp.F.

n_nlcc

integer atom_sgp::atom_sgp_potential_type::n_nlcc = 0

Definition at line 55 of file atom_sgp.F.

a_nlcc

real(kind=dp), dimension(:), pointer atom_sgp::atom_sgp_potential_type::a_nlcc => Null()

Definition at line 56 of file atom_sgp.F.

c_nlcc

real(kind=dp), dimension(:), pointer atom_sgp::atom_sgp_potential_type::c_nlcc => Null()

Definition at line 57 of file atom_sgp.F.

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

• atom_sgp.F