| This is part of the gridtools module |
Calculate the gradient of an input grid
- Examples
- Glossary of keywords and components
- 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 |
1.8.17