bfgs_optimizer.F File Reference

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

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Modules
module	bfgs_optimizer
	Routines for Geometry optimization using BFGS algorithm.

Functions/Subroutines
recursive subroutine, public	bfgs_optimizer::geoopt_bfgs (force_env, gopt_param, globenv, geo_section, gopt_env, x0)
	Main driver for BFGS geometry optimizations.
subroutine, public	bfgs_optimizer::bfgs_read_restart_header (unit, stored_method, stored_ndf, stored_type, tagged, reference_cell, cell_frame)
	Read the metadata of a tagged BFGS restart, or identify a legacy raw Hessian.