atom_types::atom_optimization_type Type Reference

Information on optimization procedure. More...

Data Fields
real(kind=dp)	damping = 0.0_dp
real(kind=dp)	eps_scf = 0.0_dp
real(kind=dp)	eps_diis = 0.0_dp
integer	max_iter = 0
integer	n_diis = 0

Detailed Description

Information on optimization procedure.

Definition at line 280 of file atom_types.F.

Field Documentation

damping

real(kind=dp) atom_types::atom_optimization_type::damping = 0.0_dp

Definition at line 281 of file atom_types.F.

eps_scf

real(kind=dp) atom_types::atom_optimization_type::eps_scf = 0.0_dp

Definition at line 282 of file atom_types.F.

eps_diis

real(kind=dp) atom_types::atom_optimization_type::eps_diis = 0.0_dp

Definition at line 283 of file atom_types.F.

max_iter

integer atom_types::atom_optimization_type::max_iter = 0

Definition at line 284 of file atom_types.F.

n_diis

integer atom_types::atom_optimization_type::n_diis = 0

Definition at line 285 of file atom_types.F.

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

• atom_types.F