Shortcut: GRADIENT
| Module | gridtools |
|---|---|
| Description | Usage |
| Calculate the gradient of an input grid |   |
| output value | type |
| the desired gradient | scalar |
Further details and examples
Text from manual goes here
Syntax
The following table describes the keywords and options that can be used with this action
| Keyword | Type | Default | Description |
|---|---|---|---|
| ORIGIN | compulsory | none | we will use the position of this atom as the origin in our calculation |
| NBINS | compulsory | none | number of bins to use in each direction for the calculation of the gradient |
| DIR | compulsory | xyz | the directions in which we are calculating the graident |
| SIGMA | compulsory | none | the width of the function to be used for kernel density estimation |
| KERNEL | compulsory | gaussian-bin | the type of kernel function to be used in the grids |
| ATOMS | compulsory | none | calculate the gradient of these atoms |