rdmft_oct_m::rdm_t Type Reference

Detailed Description

Definition at line 172 of file rdmft.F90.

Private Attributes
type(eigensolver_t)	eigens
integer	max_iter
	maximum number of scf iterations More...
integer	iter
integer	nst
	number of states More...
integer	n_twoint
logical	do_basis
logical	hf
real(real64)	mu
real(real64)	occsum
real(real64)	qtot
real(real64)	scale_f
real(real64)	toler
real(real64)	conv_ener
real(real64)	maxfo
real(real64)	tolerfo
real(real64), dimension(:), allocatable	eone
real(real64), dimension(:,:), allocatable	eone_int
real(real64), dimension(:), allocatable	twoint
real(real64), dimension(:,:), allocatable	hartree
real(real64), dimension(:,:), allocatable	exchange
real(real64), dimension(:), allocatable	evalues
real(real64), dimension(:,:), allocatable	vecnat
real(real64), dimension(:,:,:), allocatable	coul
real(real64), dimension(:,:,:), allocatable	exch
integer, dimension(:,:), allocatable	i_index
integer, dimension(:,:), allocatable	j_index
integer, dimension(:,:), allocatable	k_index
integer, dimension(:,:), allocatable	l_index
type(elec_matrix_elements_t)	elec_me
	Electronic matrix elements calculator. More...

Member Data Documentation

eigens

type(eigensolver_t) rdmft_oct_m::rdm_t::eigens

private

Definition at line 174 of file rdmft.F90.

max_iter

integer rdmft_oct_m::rdm_t::max_iter

private

maximum number of scf iterations

Definition at line 175 of file rdmft.F90.

iter

integer rdmft_oct_m::rdm_t::iter

private

Definition at line 176 of file rdmft.F90.

nst

integer rdmft_oct_m::rdm_t::nst

private

number of states

Definition at line 177 of file rdmft.F90.

n_twoint

integer rdmft_oct_m::rdm_t::n_twoint

private

Definition at line 178 of file rdmft.F90.

do_basis

logical rdmft_oct_m::rdm_t::do_basis

private

Definition at line 179 of file rdmft.F90.

hf

logical rdmft_oct_m::rdm_t::hf

private

Definition at line 180 of file rdmft.F90.

mu

real(real64) rdmft_oct_m::rdm_t::mu

private

Definition at line 181 of file rdmft.F90.

occsum

real(real64) rdmft_oct_m::rdm_t::occsum

private

Definition at line 182 of file rdmft.F90.

qtot

real(real64) rdmft_oct_m::rdm_t::qtot

private

Definition at line 183 of file rdmft.F90.

scale_f

real(real64) rdmft_oct_m::rdm_t::scale_f

private

Definition at line 184 of file rdmft.F90.

toler

real(real64) rdmft_oct_m::rdm_t::toler

private

Definition at line 185 of file rdmft.F90.

conv_ener

real(real64) rdmft_oct_m::rdm_t::conv_ener

private

Definition at line 186 of file rdmft.F90.

maxfo

real(real64) rdmft_oct_m::rdm_t::maxfo

private

Definition at line 187 of file rdmft.F90.

tolerfo

real(real64) rdmft_oct_m::rdm_t::tolerfo

private

Definition at line 188 of file rdmft.F90.

eone

real(real64), dimension(:), allocatable rdmft_oct_m::rdm_t::eone

private

Definition at line 190 of file rdmft.F90.

eone_int

real(real64), dimension(:,:), allocatable rdmft_oct_m::rdm_t::eone_int

private

Definition at line 191 of file rdmft.F90.

twoint

real(real64), dimension(:), allocatable rdmft_oct_m::rdm_t::twoint

private

Definition at line 192 of file rdmft.F90.

hartree

real(real64), dimension(:,:), allocatable rdmft_oct_m::rdm_t::hartree

private

Definition at line 193 of file rdmft.F90.

exchange

real(real64), dimension(:,:), allocatable rdmft_oct_m::rdm_t::exchange

private

Definition at line 194 of file rdmft.F90.

evalues

real(real64), dimension(:), allocatable rdmft_oct_m::rdm_t::evalues

private

Definition at line 195 of file rdmft.F90.

vecnat

real(real64), dimension(:,:), allocatable rdmft_oct_m::rdm_t::vecnat

private

Definition at line 196 of file rdmft.F90.

coul

real(real64), dimension(:,:,:), allocatable rdmft_oct_m::rdm_t::coul

private

Definition at line 197 of file rdmft.F90.

exch

real(real64), dimension(:,:,:), allocatable rdmft_oct_m::rdm_t::exch

private

Definition at line 198 of file rdmft.F90.

i_index

integer, dimension(:,:), allocatable rdmft_oct_m::rdm_t::i_index

private

Definition at line 200 of file rdmft.F90.

j_index

integer, dimension(:,:), allocatable rdmft_oct_m::rdm_t::j_index

private

Definition at line 201 of file rdmft.F90.

k_index

integer, dimension(:,:), allocatable rdmft_oct_m::rdm_t::k_index

private

Definition at line 202 of file rdmft.F90.

l_index

integer, dimension(:,:), allocatable rdmft_oct_m::rdm_t::l_index

private

Definition at line 203 of file rdmft.F90.

elec_me

type(elec_matrix_elements_t) rdmft_oct_m::rdm_t::elec_me

private

Electronic matrix elements calculator.

Definition at line 205 of file rdmft.F90.

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

• scf/rdmft.F90