atom_types::atom_integrals Type Reference

Data Fields
integer	status = 0
integer	ppstat = 0
logical	eri_coulomb = .FALSE.
logical	eri_exchange = .FALSE.
logical	all_nu = .FALSE.
integer, dimension(0:lmat)	n = 0
integer, dimension(0:lmat)	nne = 0
real(kind=dp), dimension(:, :, :), pointer	ovlp => NULL()
real(kind=dp), dimension(:, :, :), pointer	kin => NULL()
real(kind=dp), dimension(:, :, :), pointer	core => NULL()
real(kind=dp), dimension(:, :, :), pointer	clsd => NULL()
real(kind=dp), dimension(:, :, :), pointer	utrans => NULL()
real(kind=dp), dimension(:, :, :), pointer	uptrans => NULL()
real(kind=dp), dimension(:, :, :), pointer	hnl => NULL()
real(kind=dp), dimension(:, :, :), pointer	conf => NULL()
type(eri), dimension(100)	ceri = eri()
type(eri), dimension(100)	eeri = eri()
integer	dkhstat = 0
integer	zorastat = 0
real(kind=dp), dimension(:, :, :), pointer	tzora => NULL()
real(kind=dp), dimension(:, :, :), pointer	hdkh => NULL()

Detailed Description

Definition at line 213 of file atom_types.F.

Field Documentation

status

integer atom_types::atom_integrals::status = 0

Definition at line 214 of file atom_types.F.

ppstat

integer atom_types::atom_integrals::ppstat = 0

Definition at line 215 of file atom_types.F.

eri_coulomb

logical atom_types::atom_integrals::eri_coulomb = .FALSE.

Definition at line 216 of file atom_types.F.

eri_exchange

logical atom_types::atom_integrals::eri_exchange = .FALSE.

Definition at line 217 of file atom_types.F.

all_nu

logical atom_types::atom_integrals::all_nu = .FALSE.

Definition at line 218 of file atom_types.F.

n

integer, dimension(0:lmat) atom_types::atom_integrals::n = 0

Definition at line 219 of file atom_types.F.

nne

integer, dimension(0:lmat) atom_types::atom_integrals::nne = 0

Definition at line 219 of file atom_types.F.

ovlp

real(kind=dp), dimension(:, :, :), pointer atom_types::atom_integrals::ovlp => NULL()

Definition at line 220 of file atom_types.F.

kin

real(kind=dp), dimension(:, :, :), pointer atom_types::atom_integrals::kin => NULL()

Definition at line 220 of file atom_types.F.

core

real(kind=dp), dimension(:, :, :), pointer atom_types::atom_integrals::core => NULL()

Definition at line 220 of file atom_types.F.

clsd

real(kind=dp), dimension(:, :, :), pointer atom_types::atom_integrals::clsd => NULL()

Definition at line 220 of file atom_types.F.

utrans

real(kind=dp), dimension(:, :, :), pointer atom_types::atom_integrals::utrans => NULL()

Definition at line 221 of file atom_types.F.

uptrans

real(kind=dp), dimension(:, :, :), pointer atom_types::atom_integrals::uptrans => NULL()

Definition at line 221 of file atom_types.F.

hnl

real(kind=dp), dimension(:, :, :), pointer atom_types::atom_integrals::hnl => NULL()

Definition at line 222 of file atom_types.F.

conf

real(kind=dp), dimension(:, :, :), pointer atom_types::atom_integrals::conf => NULL()

Definition at line 223 of file atom_types.F.

ceri

type(eri), dimension(100) atom_types::atom_integrals::ceri = eri()

Definition at line 224 of file atom_types.F.

eeri

type(eri), dimension(100) atom_types::atom_integrals::eeri = eri()

Definition at line 225 of file atom_types.F.

dkhstat

integer atom_types::atom_integrals::dkhstat = 0

Definition at line 226 of file atom_types.F.

zorastat

integer atom_types::atom_integrals::zorastat = 0

Definition at line 227 of file atom_types.F.

tzora

real(kind=dp), dimension(:, :, :), pointer atom_types::atom_integrals::tzora => NULL()

Definition at line 228 of file atom_types.F.

hdkh

real(kind=dp), dimension(:, :, :), pointer atom_types::atom_integrals::hdkh => NULL()

Definition at line 229 of file atom_types.F.

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

• atom_types.F