Shortcut: HISTOGRAM
| Module | gridtools |
|---|---|
| Description | Usage |
| Accumulate the average probability density along a few CVs from a trajectory. |   |
| output value | type |
| the estimate of the histogram as a function of the argument that was obtained | grid |
Input
The arguments that serve as the input for this action are specified using one or more of the keywords in the following table.
| Keyword | Type | Description |
|---|---|---|
| ARG | scalar/vector/matrix | the quantities that are being used to construct the histogram |
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 |
|---|---|---|---|
| ARG | input | none | the quantities that are being used to construct the histogram |
| NORMALIZATION | compulsory | ndata | This controls how the data is normalized it can be set equal to true, false or ndata |
| GRID_MIN | compulsory | auto | the lower bounds for the grid |
| GRID_MAX | compulsory | auto | the upper bounds for the grid |
| KERNEL | compulsory | GAUSSIAN | the kernel function you are using |
| STRIDE | compulsory | 1 | the frequency with which to store data for averaging |
| CLEAR | compulsory | 0 | the frequency with whihc to clear the data that is being averaged |
| UPDATE_FROM | optional | not used | Only update this action from this time |
| UPDATE_UNTIL | optional | not used | Only update this action until this time |
| DATA | optional | not used | an alternative to the ARG keyword |
| BANDWIDTH | optional | not used | the bandwidths for kernel density esimtation |
| GRID_BIN | optional | not used | the number of bins for the grid |
| GRID_SPACING | optional | not used | the approximate grid spacing (to be used as an alternative or together with GRID_BIN) |
| LOGWEIGHTS | optional | not used | the logarithm of the quantity to use as the weights when calculating averages |