compute_modify command
Syntax
compute_modify compute-ID keyword value ...
compute-ID = ID of the compute to modify
one or more keyword/value pairs may be listed
keyword = extra/dof or dynamic/dof
extra/dof value = N N = # of extra degrees of freedom to subtract dynamic/dof value = yes or no yes/no = do or do not re-compute the number of degrees of freedom (DOF) contributing to the temperature
Examples
compute_modify myTemp extra/dof 0
compute_modify newtemp dynamic/dof yes extra/dof 600
Description
Modify one or more parameters of a previously defined compute. Not all compute styles support all parameters.
The extra/dof keyword refers to how many degrees of freedom are
subtracted (typically from
The dynamic/dof keyword determines whether the number
of atoms
Restrictions
none
Default
The option defaults are extra/dof = 2 or 3 for 2d or 3d systems, respectively, and dynamic/dof = no.