Action: PUT
| Module | core |
|---|---|
| Description | Usage |
| Pass data into PLUMED | |
| output value | type |
| the data that was passed from the MD code | scalar/vector/matrix/grid |
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 |
|---|---|---|---|
| SHAPE | compulsory | 0 | the shape of the value that is being passed to PLUMED |
| UNIT | compulsory | none | the unit of the quantity that is being passed to PLUMED through this value |
| FORCE_UNIT | compulsory | default | the units to use for the force |
| PERIODIC | compulsory | none | if the value being passed to plumed is periodic then you should specify the periodicity of the function |
| NUMERICAL_DERIVATIVES | optional | false | calculate the derivatives for these quantities numerically |
| ROLE | optional | not used | Get the role this value plays in the code can be x/y/z/m/q to signify that this is x, y, z positions of atoms or masses or charges of atoms |
| CONSTANT | optional | false | does this quantity not depend on time |
| FROM_DOMAINS | optional | false | is this quantity passed through the domain decomposition object |
| MUTABLE | optional | false | can plumed change the value of the pointer that is passed from the MD code |