scf_tol_oct_m::scf_tol_t Type Reference

Detailed Description

Definition at line 144 of file scf_tol.F90.

Public Attributes
integer, public	max_iter
real(real64), public	conv_rel_dens
real(real64), public	conv_abs_dens
real(real64), public	final_tol

Private Attributes
integer	scheme
real(real64)	conv_threshold_use
real(real64)	dynamic_tol_factor
real(real64)	current_tol
real(real64)	initial_tol
integer	iter_window

Member Data Documentation

max_iter

integer, public scf_tol_oct_m::scf_tol_t::max_iter

Definition at line 146 of file scf_tol.F90.

scheme

integer scf_tol_oct_m::scf_tol_t::scheme

private

Definition at line 147 of file scf_tol.F90.

conv_rel_dens

real(real64), public scf_tol_oct_m::scf_tol_t::conv_rel_dens

Definition at line 148 of file scf_tol.F90.

conv_abs_dens

real(real64), public scf_tol_oct_m::scf_tol_t::conv_abs_dens

Definition at line 149 of file scf_tol.F90.

conv_threshold_use

real(real64) scf_tol_oct_m::scf_tol_t::conv_threshold_use

private

Definition at line 150 of file scf_tol.F90.

dynamic_tol_factor

real(real64) scf_tol_oct_m::scf_tol_t::dynamic_tol_factor

private

Definition at line 151 of file scf_tol.F90.

current_tol

real(real64) scf_tol_oct_m::scf_tol_t::current_tol

private

Definition at line 152 of file scf_tol.F90.

initial_tol

real(real64) scf_tol_oct_m::scf_tol_t::initial_tol

private

Definition at line 153 of file scf_tol.F90.

final_tol

real(real64), public scf_tol_oct_m::scf_tol_t::final_tol

Definition at line 154 of file scf_tol.F90.

iter_window

integer scf_tol_oct_m::scf_tol_t::iter_window

private

Definition at line 155 of file scf_tol.F90.

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

• hamiltonian/scf_tol.F90