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 |