curv_gygi.F90 File Reference

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Modules
module	curv_gygi_oct_m
	This module implements the curvilinear coordinates given in F. Gygi and G. Galli, PRB 52 R2229 (1996).

Data Types
interface	curv_gygi_oct_m::curv_gygi_t

Functions/Subroutines
class(curv_gygi_t) function, pointer	curv_gygi_oct_m::curv_gygi_constructor (namespace, dim, npos, pos)
subroutine, public	curv_gygi_oct_m::curv_gygi_copy (this_out, this_in)
subroutine	curv_gygi_oct_m::curv_gygi_finalize (this)
real(real64) pure function	curv_gygi_oct_m::gygi_f (this, r)
real(real64) pure function	curv_gygi_oct_m::gygi_dfdr_over_r (this, r)
real(real64) pure function	curv_gygi_oct_m::gygi_d2fdr2_combination (this, r)
real(real64) function, dimension(1:this%dim)	curv_gygi_oct_m::curv_gygi_to_cartesian (this, chi)
pure real(real64) function, dimension(1:this%dim)	curv_gygi_oct_m::curv_gygi_from_cartesian (this, xx)
real(real64) function	curv_gygi_oct_m::curv_gygi_det_jac (this, xx, chi)
subroutine	curv_gygi_oct_m::curv_gygi_write_info (this, iunit, namespace)
real(real64) function	curv_gygi_oct_m::curv_gygi_surface_element (this, idir)
pure subroutine, public	curv_gygi_oct_m::curv_gygi_jacobian (this, xx, chi, jac, natoms)
pure subroutine, public	curv_gygi_oct_m::curv_gygi_hessian (this, xx, hessian, natoms)
pure subroutine, public	curv_gygi_oct_m::curv_gygi_hessian_trace (this, xx, hessian_trace, natoms)
pure subroutine	curv_gygi_oct_m::getf (y, f, jf)
pure subroutine	curv_gygi_oct_m::dcurv_gygi_vector_from_cartesian (this, xx, vv, src)
pure subroutine	curv_gygi_oct_m::dcurv_gygi_covector_to_cartesian (this, xx, cv, src)
pure subroutine	curv_gygi_oct_m::zcurv_gygi_vector_from_cartesian (this, xx, vv, src)
pure subroutine	curv_gygi_oct_m::zcurv_gygi_covector_to_cartesian (this, xx, cv, src)

Variables
class(curv_gygi_t), pointer	curv_gygi_oct_m::gygi_p
integer	curv_gygi_oct_m::i_p
real(real64), dimension(:), allocatable	curv_gygi_oct_m::chi_p