Action: WHAM
| Module | wham |
|---|---|
| Description | Usage |
| Calculate the weights for configurations using the weighted histogram analysis method. |   |
| output value | type |
| the vector of WHAM weights to use for reweighting the elements in a time series | vector |
Input
The arguments that serve as the input for this action are specified using one or more of the keywords in the following table.
| Keyword | Type | Description |
|---|---|---|
| ARG | scalar/vector/matrix | the stored values for the bias |
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 | input | none | the stored values for the bias |
| MAXITER | compulsory | 1000 | maximum number of iterations for WHAM algorithm |
| WHAMTOL | compulsory | 1e-10 | threshold for convergence of WHAM algorithm |
| TEMP | optional | not used | the system temperature |