cg_optimizer Module Reference

Routines for Geometry optimization using Conjugate Gradients. More...

Functions/Subroutines
recursive subroutine, public	geoopt_cg (force_env, gopt_param, globenv, geo_section, gopt_env, x0, do_update)
	Driver for conjugate gradient optimization technique. More...

Detailed Description

Routines for Geometry optimization using Conjugate Gradients.

Author

Teodoro Laino [teo] 10.2005

Function/Subroutine Documentation

geoopt_cg()

recursive subroutine, public cg_optimizer::geoopt_cg	(	type(force_env_type), pointer	force_env,
		type(gopt_param_type), pointer	gopt_param,
		type(global_environment_type), pointer	globenv,
		type(section_vals_type), pointer	geo_section,
		type(gopt_f_type), pointer	gopt_env,
		real(kind=dp), dimension(:), pointer	x0,
		logical, intent(out), optional	do_update
	)

Driver for conjugate gradient optimization technique.

Parameters

force_env	...
gopt_param	...
globenv	...
geo_section	...
gopt_env	...
x0	...
do_update	...

History

10.2005 created [tlaino]

Author

Teodoro Laino

Definition at line 111 of file cg_optimizer.F.

Here is the call graph for this function:

Here is the caller graph for this function: