Modules
module	curv_modine_oct_m
	This module implements the curvilinear coordinates given in N. A. Modine, G. Zumbach, and E. Kaxiras, Phys. Rev. B 55, 10289-10301 (1997)

Data Types
interface	curv_modine_oct_m::curv_modine_t

Functions/Subroutines
class(curv_modine_t) function, pointer	curv_modine_oct_m::curv_modine_constructor (namespace, dim, npos, pos, lsize, spacing)

subroutine	find_atom_points ()

subroutine	optimize ()

subroutine, public	curv_modine_oct_m::curv_modine_copy (this_out, this_in)

subroutine	curv_modine_oct_m::curv_modine_finalize (this)

real(real64) function, dimension(1:this%dim)	curv_modine_oct_m::curv_modine_to_cartesian (this, chi)

real(real64) function, dimension(1:this%dim)	curv_modine_oct_m::curv_modine_from_cartesian (this, xx)

subroutine	curv_modine_oct_m::curv_modine_write_info (this, iunit, namespace)

real(real64) function	curv_modine_oct_m::curv_modine_surface_element (this, idir)

pure subroutine	curv_modine_oct_m::curv_modine_chi2chi2 (this, chi_, chi2, Jac)

pure subroutine	curv_modine_oct_m::curv_modine_jacobian_inv (this, chi, xx, Jac)

pure subroutine	curv_modine_oct_m::getf (yy, ff, jf)

subroutine	curv_modine_oct_m::getf2 (csi, ff, jf)

real(real64) function, dimension(1:this%dim, 1:this%dim)	curv_modine_oct_m::curv_modine_jacobian (this, chi)

real(real64) function, dimension(1:this%dim, 1:this%dim)	curv_modine_oct_m::curv_modine_jacobian_inverse (this, chi)

Variables
class(curv_modine_t), pointer	curv_modine_oct_m::modine_p

real(real64), dimension(:), allocatable	curv_modine_oct_m::x_p

Function/Subroutine Documentation

◆ find_atom_points()

subroutine curv_modine_constructor::find_atom_points

private

Definition at line 269 of file curv_modine.F90.

subroutine curv_modine_constructor::optimize

private

Definition at line 295 of file curv_modine.F90.