Module: function
| Description | Usage |
|---|---|
| Information about the module | |
| Authors: The PLUMED core developers |   |
Details
Actions
The following actions are part of this module
| Name | Description |
|---|---|
| BESSEL | Calculate the value of a Bessel function. |
| BETWEEN | Use a switching function to determine how many of the input variables are within a certain range. |
| COMBINE | Calculate a polynomial combination of a set of other variables. |
| CUSTOM | Calculate a combination of variables using a custom expression. |
| ENSEMBLE | Calculates the replica averaging of a collective variable over multiple replicas. |
| FUNCPATHGENERAL | This function calculates path collective variables (PCVs) using an arbitrary combination of collective variables. |
| FUNCPATHMSD | This function calculates path collective variables. |
| FUNCSUMHILLS | This function is intended to be called by the command line tool sum_hills. It is meant to integrate a HILLS file or an HILLS file interpreted as a histogram in a variety of ways. It is, therefore, not expected that you use this during your dynamics (it will crash!) |
| HIGHEST | This function can be used to find the highest colvar by magnitude in a set. |
| LESS_THAN | Use a switching function to determine how many of the input variables are less than a certain cutoff. |
| LOCALENSEMBLE | Calculates the average over multiple arguments. |
| LOWEST | This function can be used to find the lowest colvar by magnitude in a set. |
| MATHEVAL | An alias to the CUSTOM function that can also be used to calaculate combinations of variables using a custom expression. |
| MEAN | Calculate the arithmetic mean of the elements in a vector |
| MOMENTS | Calculate central moments from the distribution of input quantities |
| MORE_THAN | Use a switching function to determine how many of the input variables are more than a certain cutoff. |
| PIECEWISE | Compute a piece wise straight line through its arguments that passes through a set of ordered control points. |
| PRODUCT | Calculate the product of the input quantities |
| SORT | This function can be used to sort colvars according to their magnitudes. |
| STATS | Calculates statistical properties of a set of collective variables with respect to a set of reference values. |
| SUM | Calculate the sum of the arguments |