GRADIENT

This is part of the gridtools module

Calculate the gradient of an input grid

Examples

Glossary of keywords and components

Description of components

Quantity	Description
.#!value	the desired gradient

Compulsory keywords

ORIGIN	we will use the position of this atom as the origin in our calculation
NBINS	number of bins to use in each direction for the calculation of the gradient
DIR	( default=xyz ) the directions in which we are calculating the graident. Should be x, y, z, xy, xz, yz or xyz
SIGMA	the width of the function to be used for kernel density estimation
KERNEL	( default=gaussian-bin ) the type of kernel function to be used in the grids
ATOMS	calculate the gradient of these atoms