geo_opt.F File Reference

#include "../base/base_uses.f90"

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Modules
module	geo_opt
	performs geometry optimization

Functions/Subroutines
subroutine, public	geo_opt::cp_geo_opt (force_env, globenv, eval_opt_geo, rm_restart_info)
	Main driver to perform geometry optimization.
subroutine, public	geo_opt::gopt_dispatch_optimizer (force_env, globenv, gopt_param, gopt_env, geo_section, x0)
	dispatch to the selected optimizer (BFGS, L-BFGS or CG)