mof3d_bfgs.f90 File Reference

Modules
module	mod_mof3d_bfgs

Enumerations
enum	{   mod_mof3d_bfgs::mof_stat_converged = 0 , mod_mof3d_bfgs::mof_stat_max_iter , mod_mof3d_bfgs::mof_stat_step , mod_mof3d_bfgs::mof_stat_stationnarity ,   mod_mof3d_bfgs::mof_stat_hessian }

Functions/Subroutines
pure subroutine, public	mod_mof3d_bfgs::mof3d_bfgs (cell, cell_volume, cell_centroid, ref_centroid1, ref_centroid2, ref_volume, use_analytic, angles, normal, stat, residual)
	Broyden-Fletcher-Goldfarb-Shanno method to minimize the objective function of MOF.
pure character(len=:) function, allocatable, public	mod_mof3d_bfgs::mof3d_get_stop_criterion (stat)
	Convert the stop criterion code to a human readable string.
pure subroutine	mod_mof3d_bfgs::mof3d_bfgs2 (cell, cell_volume, cell_centroid, ref_centroid1, ref_centroid2, ref_volume, use_analytic, angles, normal, stat, residual)
pure double precision function, dimension(2, 2)	mod_mof3d_bfgs::mof3d_kronecker (u, v)