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 names of the components in this action can be customized by the user in the actions input file. However, in addition to these customizable components the following quantities will always be output
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 |
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: CONSTANT VALUES=1.0,2.0 dis: DISTANCE ATOMS=1,2 sss: SORT ARG=cn.v_0,dis,cn.v_1 PRINT ARG=sss.2
In case you want to pass a single value you can use VALUE:
cn: CONSTANT VALUE=1.0 dis: DISTANCE ATOMS=1 sss: SORT ARG=cn,dis PRINT ARG=sss.1