atom_optimization::atom_history_type Type Reference

Data Fields
integer	max_history = 0
integer	hlen = 0
integer	hpos = 0
real(dp)	damping = 0.0_dp
real(dp)	eps_diis = 0.0_dp
real(dp), dimension(:, :), pointer	dmat => NULL()
type(hmat_type), dimension(:), pointer	hmat => NULL()

Detailed Description

Definition at line 31 of file atom_optimization.F.

Field Documentation

max_history

integer atom_optimization::atom_history_type::max_history = 0

Definition at line 32 of file atom_optimization.F.

hlen

integer atom_optimization::atom_history_type::hlen = 0

Definition at line 33 of file atom_optimization.F.

hpos

integer atom_optimization::atom_history_type::hpos = 0

Definition at line 34 of file atom_optimization.F.

damping

real(dp) atom_optimization::atom_history_type::damping = 0.0_dp

Definition at line 35 of file atom_optimization.F.

eps_diis

real(dp) atom_optimization::atom_history_type::eps_diis = 0.0_dp

Definition at line 36 of file atom_optimization.F.

dmat

real(dp), dimension(:, :), pointer atom_optimization::atom_history_type::dmat => NULL()

Definition at line 37 of file atom_optimization.F.

hmat

type(hmat_type), dimension(:), pointer atom_optimization::atom_history_type::hmat => NULL()

Definition at line 38 of file atom_optimization.F.

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

• atom_optimization.F