mod_mof3d_bfgs Module Reference

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

Functions/Subroutines
pure subroutine, public	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	mof3d_get_stop_criterion (stat)
	Convert the stop criterion code to a human readable string.
pure subroutine	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)	mof3d_kronecker (u, v)

Enumeration Type Documentation

anonymous enum

anonymous enum

private

Enumerator
mof_stat_converged
mof_stat_max_iter
mof_stat_step
mof_stat_stationnarity
mof_stat_hessian

Function/Subroutine Documentation

mof3d_bfgs2()

pure subroutine mod_mof3d_bfgs::mof3d_bfgs2 ( type(t_polyhedron), intent(in) cell, double precision, intent(in) cell_volume, double precision, dimension(3), intent(in) cell_centroid, double precision, dimension(3), intent(in) ref_centroid1, double precision, dimension(3), intent(in) ref_centroid2, double precision, intent(in) ref_volume, logical, intent(in) use_analytic, double precision, dimension(2), intent(inout) angles, double precision, dimension(3), intent(out) normal, integer, dimension(3), intent(out) stat, double precision, dimension(2), intent(out) residual )

private

mof3d_kronecker()

pure double precision function, dimension(2,2) mod_mof3d_bfgs::mof3d_kronecker ( double precision, dimension(2), intent(in) u, double precision, dimension(2), intent(in) v )

private