Shortcut: PCA
| Module | dimred |
|---|---|
| Description | Usage |
| Perform principal component analysis (PCA) using either the positions of the atoms a large number of collective variables as input. |   |
| output value | type |
| the projections of the input coordinates on the PCA components that were found from the covariance matrix | matrix |
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 | compulsory | none | the arguments that you would like to make the histogram for |
| NLOW_DIM | compulsory | none | number of low-dimensional coordinates required |
| STRIDE | compulsory | 0 | the frequency with which to perform this analysis |
| FILE | optional | not used | the file on which to output the low dimensional coordinates |
| FMT | optional | not used | the format to use when outputting the low dimensional coordinates |