CP2K 2.4 (Revision 12889)
Private Attributes

gopt_param_types::cg_ls_param_type Struct Reference

stores the parameters nedeed for a geometry optimization More...

Collaboration diagram for gopt_param_types::cg_ls_param_type:

List of all members.

Private Attributes

INTEGER brent_max_iter
INTEGER type_id
REAL(KIND=dp) brent_tol
REAL(KIND=dp) brack_limit
REAL(KIND=dp) initial_step
REAL(KIND=dp) max_step
LOGICAL grad_only

Detailed Description

stores the parameters nedeed for a geometry optimization

Parameters:
method_idthe optimization method
wanted_proj_gradientthe wanted accuracy on the projected gradient
wanted_rel_f_error:
max_h_rankmaximum rank of the hessian approximation
max_f_per_itermaximum number of function evaluations per iteration
max_itermaximum number of iterations
History
08.2003 created [fawzi]
Author:
Fawzi Mohamed

Definition at line 49 of file gopt_param_types.f90.


Member Data Documentation

Definition at line 51 of file gopt_param_types.f90.

Definition at line 50 of file gopt_param_types.f90.

Definition at line 51 of file gopt_param_types.f90.

Definition at line 52 of file gopt_param_types.f90.

Definition at line 51 of file gopt_param_types.f90.

Definition at line 51 of file gopt_param_types.f90.

Definition at line 50 of file gopt_param_types.f90.


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