Action: STATS
| Module | function |
|---|---|
| Description | Usage |
| Calculates statistical properties of a set of collective variables with respect to a set of reference values. |   |
Output components
This action can calculate the values in the following table when the associated keyword is included in the input for the action. These values can be referenced elsewhere in the input by using this Action’s label followed by a dot and the name of the value required from the list below.
| Name | Type | Keyword | Description |
|---|---|---|---|
| sqdevsum | scalar | default | the sum of the squared deviations between arguments and parameters |
| corr | scalar | default | the correlation between arguments and parameters |
| slope | scalar | default | the slope of a linear fit between arguments and parameters |
| intercept | scalar | default | the intercept of a linear fit between arguments and parameters |
| sqd | scalar | SQDEV | the squared deviations between arguments and parameters |
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 | the labels of the values from which the function is calculated |
| PARARG | scalar | the input for this action is the scalar output from one or more other actions without derivatives |
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 labels of the values from which the function is calculated |
| PARARG | input | none | the input for this action is the scalar output from one or more other actions without derivatives |
| NUMERICAL_DERIVATIVES | optional | false | calculate the derivatives for these quantities numerically |
| PARAMETERS | optional | not used | the parameters of the arguments in your function |
| SQDEVSUM | optional | false | calculates only SQDEVSUM |
| SQDEV | optional | false | calculates and store the SQDEV as components |
| UPPERDISTS | optional | false | calculates and store the SQDEV as components |