|
CP2K 2.4 (Revision 12889)
|
stores the parameters nedeed for a geometry optimization More...
Collaboration diagram for gopt_param_types::cg_ls_param_type: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 |
stores the parameters nedeed for a geometry optimization
| method_id | the optimization method |
| wanted_proj_gradient | the wanted accuracy on the projected gradient |
| wanted_rel_f_error | : |
| max_h_rank | maximum rank of the hessian approximation |
| max_f_per_iter | maximum number of function evaluations per iteration |
| max_iter | maximum number of iterations |
Definition at line 49 of file gopt_param_types.f90.
REAL(KIND = dp) gopt_param_types::cg_ls_param_type::brack_limit [private] |
Definition at line 51 of file gopt_param_types.f90.
Definition at line 50 of file gopt_param_types.f90.
REAL(KIND = dp) gopt_param_types::cg_ls_param_type::brent_tol [private] |
Definition at line 51 of file gopt_param_types.f90.
LOGICAL gopt_param_types::cg_ls_param_type::grad_only [private] |
Definition at line 52 of file gopt_param_types.f90.
REAL(KIND = dp) gopt_param_types::cg_ls_param_type::initial_step [private] |
Definition at line 51 of file gopt_param_types.f90.
REAL(KIND = dp) gopt_param_types::cg_ls_param_type::max_step [private] |
Definition at line 51 of file gopt_param_types.f90.
Definition at line 50 of file gopt_param_types.f90.
1.7.3