Shortcut: BOPS
| Module | crystdistrib |
|---|---|
| Description | Usage |
| Calculate the BOPS order parameter |   |
| output value | type |
| the values of the bops order parameters | vector |
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 |
|---|---|---|
| SPECIES | atoms | this keyword is used for colvars such as coordination number |
| SPECIESA | atoms | this keyword is used for colvars such as the coordination number |
| SPECIESB | atoms | this keyword is used for colvars such as the coordination number |
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 |
|---|---|---|---|
| SPECIES | input | none | this keyword is used for colvars such as coordination number |
| SPECIESA | input | none | this keyword is used for colvars such as the coordination number |
| SPECIESB | input | none | this keyword is used for colvars such as the coordination number |
| QUATERNIONS | compulsory | none | the label of the action that computes the quaternions that should be used |
| KERNELFILE_DOPS | compulsory | none | the file containing the list of kernel parameters |
| KERNELFILE_BOPS | compulsory | none | the second file containing the list of kernel parameters |
| CUTOFF | compulsory | none | cutoff for the distance matrix |