Module: mapping
| Description | Usage |
|---|---|
| Information about the module | |
| Authors: authors |   |
Details
Actions
The following actions are part of this module
| Name | Description |
|---|---|
| ADAPTIVE_PATH | Compute path collective variables that adapt to the lowest free energy path connecting states A and B. |
| AVERAGE_PATH_DISPLACEMENT | Accumulate the distances between the reference frames in the paths and the configurations visited |
| GEOMETRIC_PATH | Distance along and from a path calculated using geometric formulas |
| GPATH | Distance along and from a path calculated using geometric formulas |
| GPROPERTYMAP | Property maps but with a more flexible framework for the distance metric being used. |
| PATH | Path collective variables with a more flexible framework for the distance metric being used. |
| PCAVARS | Projection on principal component eigenvectors or other high dimensional linear subspace |
| REPARAMETERIZE_PATH | Take an input path with frames that are not equally spaced and make the frames equally spaced |
Command line tools
The following command line tools are part of this module
| Name | Description |
|---|---|
| pathtools | print out a description of the keywords for an action in html |