Action: SIZESHAPE_POSITION_MAHA_DIST
| Module | sizeshape |
|---|---|
| Description | Usage |
| Calculates Mahalanobis distance of a current configuration from a given reference configurational distribution in size-and-shape space. |   |
| output value | type |
| the Mahalanobis distance between the instantaneous configuration and a given reference distribution in size-and-shape space | scalar |
Input
The atoms that serve as the input for this action are specified using one or more of the keywords in the following table.
| Keyword | Type | Description |
|---|---|---|
| GROUP | atoms | The group of atoms being used |
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 |
|---|---|---|---|
| GROUP | input | none | The group of atoms being used |
| PRECISION | compulsory | none | Precision Matrix (inverse of covariance) |
| REFERENCE | compulsory | none | Reference structure |
| NUMERICAL_DERIVATIVES | optional | false | calculate the derivatives for these quantities numerically |
| NOPBC | optional | false | ignore the periodic boundary conditions when calculating distances |
| SQUARED | optional | false | Returns the square of distance |