This is part of the colvar module |
Return one or more constant quantities with or without derivatives.
Useful in combination with functions that takes in input constants or parameters.
The following input instructs plumed to compute the distance between atoms 1 and 2. If this distance is between 1.0 and 2.0, it is printed. If it is lower than 1.0 (larger than 2.0), 1.0 (2.0) is printed
cn: CONSTANTVALUES=1.0,2.0 dis: DISTANCEThe values of the constantsATOMS=1,2 sss: SORTthe pair of atom that we are calculating the distance between.ARG=cn.v-0,dis,cn.v-1 PRINTthe input for this action is the scalar output from one or more other actions.ARG=sss.2the input for this action is the scalar output from one or more other actions.
In case you want to pass a single value you can use VALUE:
cn: CONSTANTVALUE=1.0 dis: DISTANCEThe value of the constantATOMS=1,2 sss: SORTthe pair of atom that we are calculating the distance between.ARG=cn,dis PRINTthe input for this action is the scalar output from one or more other actions.ARG=sss.1the input for this action is the scalar output from one or more other actions.
By default this Action calculates the following quantities. These quantities can be referenced elsewhere in the input by using this Action's label followed by a dot and the name of the quantity required from the list below.
Quantity | Description |
v | the # value |
NOPBC | ( default=off ) ignore the periodic boundary conditions when calculating distances |
NODERIV | ( default=off ) Set to TRUE if you want values without derivatives. |
VALUES | The values of the constants |
VALUE | The value of the constant |