Fdkup.m - Revision history

Kuprov: Update function See also links and function index membership

2026-06-06T18:36:35Z

Update function See also links and function index membership

Kuprov: Rename Arguments section heading to Parameters

2026-06-05T17:48:51Z

Rename Arguments section heading to Parameters

Kuprov: Spot-edit Spinach function page first-line NOTOC and template fields

2026-06-05T17:27:50Z

Spot-edit Spinach function page first-line NOTOC and template fields

Kuprov: Normalise sequential blank lines

2026-04-25T11:25:05Z

Normalise sequential blank lines

Admin: /* Arguments */

2018-08-16T14:38:04Z

‎Arguments

Admin: /* See also */

2018-08-16T14:28:52Z

‎See also

Admin at 14:28, 16 August 2018

2018-08-16T14:28:15Z

Admin: Created page with "Returns a finite difference representation of the Kuprov operator: K[rho]=-(1/3)Trace(Hessian[rho]chi) with the number of stencil points in the finite dif..."

2015-11-02T16:21:37Z

Created page with "Returns a finite difference representation of the Kuprov operator: K[rho]=-(1/3)*Trace(Hessian[rho]*chi) with the number of stencil points in the finite dif..."

New page

Returns a finite difference representation of the Kuprov operator:

K[rho]=-(1/3)*Trace(Hessian[rho]*chi)

with the number of stencil points in the finite difference approximation specified by user. Syntax:

K=fdkup(npoints,extents,chi,nstenc)

The following parameters are needed:

npoints - a three-element vector specifying the dimensions
of the 3D cube of data that the operator will be
acting on, in Angstroms.

chi - the electron magnetic susceptibility tensor in
cubic Angstroms.

extents - a three-element vector specifying axis extents
in Angstroms.

nstenc - number of finite-difference stencil points for
the finite-difference approximations.

The resulting operator is a sparse matrix designed to act on the vectorization of rho. The dimensions of rho are assumed to be ordered as [X Y Z].

For further details see http://dx.doi.org/10.1039/C4CP03106G.

@@ Line 35: / Line 35: @@
 ==See also==
-[[fdvec.m]], [[fdlap.m]], [[fdhess.m]], [[fdmat.m]], [[fdweights.m]], [[fftdiff.m]], [[fourdif.m]], [[fourlap.m]]
+[[fdvec.m]], [[fdlap.m]], [[fdhess.m]], [[fdmat.m]], [[fdweights.m]], [[fftdiff.m]], [[fourdif.m]], [[fourlap.m]], [[cgsppm2ang.m]], [[corrfun.m]], [[fpl2phan.m]], [[fpl2rho.m]], [[hydrodynamics.m]], [[interpmat.m]], [[oscillator.m]], [[overwound.m]], [[phan2fpl.m]], [[points2mult.m]], [[qform2sph.m]], [[qxspen_kernel.m]], [[spden.m]], [[Hyperfine_shift_module]], [[Kernel_utilities]]
 ''Version 2.2, authors: [[Gareth Charnock]], [[Ilya Kuprov]]''

@@ Line 10: / Line 10: @@
       K=fdkup(npoints,extents,chi,nstenc)
-==Arguments==
+==Parameters==
       npoints -  a three-element vector specifying the dimensions

← Older revision		Revision as of 17:27, 5 June 2026
Line 1:		Line 1:
−	{{DISPLAYTITLE:fdkup.m}}	+	{{DISPLAYTITLE:fdkup.m}} __NOTOC__
	Returns a finite difference representation of the Kuprov operator:		Returns a finite difference representation of the Kuprov operator:

@@ Line 36: / Line 36: @@
 ==See also==
 [[fdvec.m]], [[fdlap.m]], [[fdhess.m]], [[fdmat.m]], [[fdweights.m]], [[fftdiff.m]], [[fourdif.m]], [[fourlap.m]]
 ''Version 2.2, authors: [[Gareth Charnock]], [[Ilya Kuprov]]''

@@ Line 18: / Line 18: @@
       chi     -  the electron magnetic susceptibility tensor in
-                 cubic Angstroms, a symmatric 3x3 matrix.
+                 cubic Angstroms, a symmetric 3x3 matrix.
       extents -  a three-element vector specifying axis extents

@@ Line 1: / Line 1: @@
 Returns a finite difference representation of the Kuprov operator:
                   K[rho]=-(1/3)*Trace(Hessian[rho]*chi)
-with the number of stencil points in the finite difference approximation specified by user. Syntax:
+with the number of stencil points in the finite difference approximation specified by user. The resulting operator is a sparse matrix designed to act on the vectorisation of rho. The dimensions of rho are assumed to be ordered as [X Y Z]. For further information, see http://dx.doi.org/10.1039/C4CP03106G.
-                  K=fdkup(npoints,extents,chi,nstenc)
+==Syntax==
       npoints -  a three-element vector specifying the dimensions
                  of the 3D cube of data that the operator will be
-                 acting on, in Angstroms.
+                 acting on, in Angstroms. The dimensions are assu-
-     chi     -  the electron magnetic susceptibility tensor in
+==Outputs==
-      extents -  a three-element vector specifying axis extents
+      K       -  a sparse matrix designed to act on the vectori-
-                 in Angstroms.
+                 zation of the array. The dimensions are assumed
-     nstenc  -  number of finite-difference stencil points for
+==See also==
-                the finite-difference approximations.
+Links to related functions.
-For further details see http://dx.doi.org/10.1039/C4CP03106G.
+''Version 2.2, authors: [[Gareth Charnock]], [[Ilya Kuprov]]''