gopt_param_types Namespace Reference

contains typo and related routines to handle parameters controlling the GEO_OPT module More...

Classes
struct	cg_ls_param_type
	stores the parameters nedeed for a geometry optimization More...
struct	gopt_param_type
Functions
subroutine, public	gopt_param_create (gopt_param, error)
	creates a new gopt_param object
subroutine, public	gopt_param_read (gopt_param, gopt_section, type_id, error)
	reads the parameters of the geopmetry optimizer
subroutine, public	gopt_param_retain (gopt_param, error)
subroutine, public	gopt_param_release (gopt_param, error)
Variables
LOGICAL, parameter, private	debug_this_module = .TRUE.
CHARACTER(len=*), parameter, private	moduleN = 'gopt_param_types'
INTEGER, save, private	last_gopt_param_id = 0

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Detailed Description

contains typo and related routines to handle parameters controlling the GEO_OPT module

History

none

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Function Documentation

subroutine,public gopt_param_types::gopt_param_create	(	TYPE(gopt_param_type),pointer	gopt_param,
		TYPE(cp_error_type),intent(inout)	error
	)

creates a new gopt_param object

Parameters:

gopt_param	the object to create
error	variable to control error logging, stopping,... see module cp_error_handling

History

08.2003 created [fawzi]

Author:

Fawzi Mohamed

Definition at line 81 of file gopt_param_types.f90.

References CPPostcondition, and last_gopt_param_id.

Referenced by gopt_param_read().

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subroutine,public gopt_param_types::gopt_param_read	(	TYPE(gopt_param_type),pointer	gopt_param,
		TYPE(section_vals_type),pointer	gopt_section,
		INTEGER,intent(in),optional	type_id,
		TYPE(cp_error_type),intent(inout)	error
	)

reads the parameters of the geopmetry optimizer

Parameters:

error

variable to control error logging, stopping,... see module cp_error_handling

History

08.2003 created [fawzi]

Author:

Fawzi Mohamed

Definition at line 111 of file gopt_param_types.f90.

References input_constants::default_bfgs_method_id, and gopt_param_create().

Referenced by cell_opt::cp_cell_opt(), geo_opt::cp_geo_opt(), gopt_f_types::gopt_f_create(), and shell_opt::optimize_shell_core().

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subroutine,public gopt_param_types::gopt_param_release	(	TYPE(gopt_param_type),pointer	gopt_param,
		TYPE(cp_error_type),intent(inout)	error
	)

Parameters:

gopt_param	the geometry optimization environment to release
error	variable to control error logging, stopping,... see module cp_error_handling

History

none

Definition at line 215 of file gopt_param_types.f90.

References CPPostcondition, and CPPreconditionNoFail.

subroutine,public gopt_param_types::gopt_param_retain	(	TYPE(gopt_param_type),pointer	gopt_param,
		TYPE(cp_error_type),intent(inout)	error
	)

Parameters:

gopt_param	the geometry optimization environment to retain
error	variable to control error logging, stopping,... see module cp_error_handling

History

none

Definition at line 190 of file gopt_param_types.f90.

References CPPreconditionNoFail.

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Variable Documentation

LOGICAL,parameter,private gopt_param_types::debug_this_module = .TRUE.

Definition at line 29 of file gopt_param_types.f90.

INTEGER,save,private gopt_param_types::last_gopt_param_id = 0

Definition at line 31 of file gopt_param_types.f90.

Referenced by gopt_param_create().

CHARACTER(len=*),parameter,private gopt_param_types::moduleN = 'gopt_param_types'

Definition at line 30 of file gopt_param_types.f90.