basis_set_types::gto_basis_set_type Type Reference

Data Fields
character(len=default_string_length)	name = ""
character(len=default_string_length)	aliases = ""
real(kind=dp)	kind_radius = 0.0_dp
real(kind=dp)	short_kind_radius = 0.0_dp
integer	norm_type = -1
integer	ncgf = -1
integer	nset = -1
integer	nsgf = -1
character(len=12), dimension(:), pointer	cgf_symbol => NULL()
character(len=6), dimension(:), pointer	sgf_symbol => NULL()
real(kind=dp), dimension(:), pointer	norm_cgf => NULL()
real(kind=dp), dimension(:), pointer	set_radius => NULL()
integer, dimension(:), pointer	lmax => NULL()
integer, dimension(:), pointer	lmin => NULL()
integer, dimension(:), pointer	lx => NULL()
integer, dimension(:), pointer	ly => NULL()
integer, dimension(:), pointer	lz => NULL()
integer, dimension(:), pointer	m => NULL()
integer, dimension(:), pointer	ncgf_set => NULL()
integer, dimension(:), pointer	npgf => NULL()
integer, dimension(:), pointer	nsgf_set => NULL()
integer, dimension(:), pointer	nshell => NULL()
real(kind=dp), dimension(:, :), pointer	cphi => NULL()
real(kind=dp), dimension(:, :), pointer	pgf_radius => NULL()
real(kind=dp), dimension(:, :), pointer	sphi => NULL()
real(kind=dp), dimension(:, :), pointer	scon => NULL()
real(kind=dp), dimension(:, :), pointer	zet => NULL()
integer, dimension(:, :), pointer	first_cgf => NULL()
integer, dimension(:, :), pointer	first_sgf => NULL()
integer, dimension(:, :), pointer	l => NULL()
integer, dimension(:, :), pointer	last_cgf => NULL()
integer, dimension(:, :), pointer	last_sgf => NULL()
integer, dimension(:, :), pointer	n => NULL()
real(kind=dp), dimension(:, :, :), pointer	gcc => NULL()

Detailed Description

Definition at line 71 of file basis_set_types.F.

Field Documentation

name

character(len=default_string_length) basis_set_types::gto_basis_set_type::name = ""

Definition at line 73 of file basis_set_types.F.

aliases

character(len=default_string_length) basis_set_types::gto_basis_set_type::aliases = ""

Definition at line 74 of file basis_set_types.F.

kind_radius

real(kind=dp) basis_set_types::gto_basis_set_type::kind_radius = 0.0_dp

Definition at line 75 of file basis_set_types.F.

short_kind_radius

real(kind=dp) basis_set_types::gto_basis_set_type::short_kind_radius = 0.0_dp

Definition at line 76 of file basis_set_types.F.

norm_type

integer basis_set_types::gto_basis_set_type::norm_type = -1

Definition at line 77 of file basis_set_types.F.

ncgf

integer basis_set_types::gto_basis_set_type::ncgf = -1

Definition at line 78 of file basis_set_types.F.

nset

integer basis_set_types::gto_basis_set_type::nset = -1

Definition at line 78 of file basis_set_types.F.

nsgf

integer basis_set_types::gto_basis_set_type::nsgf = -1

Definition at line 78 of file basis_set_types.F.

cgf_symbol

character(len=12), dimension(:), pointer basis_set_types::gto_basis_set_type::cgf_symbol => NULL()

Definition at line 79 of file basis_set_types.F.

sgf_symbol

character(len=6), dimension(:), pointer basis_set_types::gto_basis_set_type::sgf_symbol => NULL()

Definition at line 80 of file basis_set_types.F.

norm_cgf

real(kind=dp), dimension(:), pointer basis_set_types::gto_basis_set_type::norm_cgf => NULL()

Definition at line 81 of file basis_set_types.F.

set_radius

real(kind=dp), dimension(:), pointer basis_set_types::gto_basis_set_type::set_radius => NULL()

Definition at line 81 of file basis_set_types.F.

lmax

integer, dimension(:), pointer basis_set_types::gto_basis_set_type::lmax => NULL()

Definition at line 82 of file basis_set_types.F.

lmin

integer, dimension(:), pointer basis_set_types::gto_basis_set_type::lmin => NULL()

Definition at line 82 of file basis_set_types.F.

lx

integer, dimension(:), pointer basis_set_types::gto_basis_set_type::lx => NULL()

Definition at line 82 of file basis_set_types.F.

ly

integer, dimension(:), pointer basis_set_types::gto_basis_set_type::ly => NULL()

Definition at line 82 of file basis_set_types.F.

lz

integer, dimension(:), pointer basis_set_types::gto_basis_set_type::lz => NULL()

Definition at line 82 of file basis_set_types.F.

m

integer, dimension(:), pointer basis_set_types::gto_basis_set_type::m => NULL()

Definition at line 82 of file basis_set_types.F.

ncgf_set

integer, dimension(:), pointer basis_set_types::gto_basis_set_type::ncgf_set => NULL()

Definition at line 82 of file basis_set_types.F.

npgf

integer, dimension(:), pointer basis_set_types::gto_basis_set_type::npgf => NULL()

Definition at line 82 of file basis_set_types.F.

nsgf_set

integer, dimension(:), pointer basis_set_types::gto_basis_set_type::nsgf_set => NULL()

Definition at line 82 of file basis_set_types.F.

nshell

integer, dimension(:), pointer basis_set_types::gto_basis_set_type::nshell => NULL()

Definition at line 82 of file basis_set_types.F.

cphi

real(kind=dp), dimension(:, :), pointer basis_set_types::gto_basis_set_type::cphi => NULL()

Definition at line 86 of file basis_set_types.F.

pgf_radius

real(kind=dp), dimension(:, :), pointer basis_set_types::gto_basis_set_type::pgf_radius => NULL()

Definition at line 86 of file basis_set_types.F.

sphi

real(kind=dp), dimension(:, :), pointer basis_set_types::gto_basis_set_type::sphi => NULL()

Definition at line 86 of file basis_set_types.F.

scon

real(kind=dp), dimension(:, :), pointer basis_set_types::gto_basis_set_type::scon => NULL()

Definition at line 86 of file basis_set_types.F.

zet

real(kind=dp), dimension(:, :), pointer basis_set_types::gto_basis_set_type::zet => NULL()

Definition at line 86 of file basis_set_types.F.

first_cgf

integer, dimension(:, :), pointer basis_set_types::gto_basis_set_type::first_cgf => NULL()

Definition at line 88 of file basis_set_types.F.

first_sgf

integer, dimension(:, :), pointer basis_set_types::gto_basis_set_type::first_sgf => NULL()

Definition at line 88 of file basis_set_types.F.

l

integer, dimension(:, :), pointer basis_set_types::gto_basis_set_type::l => NULL()

Definition at line 88 of file basis_set_types.F.

last_cgf

integer, dimension(:, :), pointer basis_set_types::gto_basis_set_type::last_cgf => NULL()

Definition at line 88 of file basis_set_types.F.

last_sgf

integer, dimension(:, :), pointer basis_set_types::gto_basis_set_type::last_sgf => NULL()

Definition at line 88 of file basis_set_types.F.

n

integer, dimension(:, :), pointer basis_set_types::gto_basis_set_type::n => NULL()

Definition at line 88 of file basis_set_types.F.

gcc

real(kind=dp), dimension(:, :, :), pointer basis_set_types::gto_basis_set_type::gcc => NULL()

Definition at line 90 of file basis_set_types.F.

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

• aobasis/basis_set_types.F