# compute_modify command ## Syntax ``` LAMMPS 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 *extra* or *dynamic/dof* or *dynamic* *extra/dof* value = N N = # of extra degrees of freedom to subtract *extra* syntax is identical to *extra/dof*, will be disabled at some point *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 *dynamic* syntax is identical to *dynamic/dof*, will be disabled at some point ## Examples ``` LAMMPS 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* or *extra* keyword refers to how many degrees of freedom are subtracted (typically from $3N$) as a normalizing factor in a temperature computation. Only computes that compute a temperature use this option. The default is 2 or 3 for [2d or 3d systems](dimension) which is a correction factor for an ensemble of velocities with zero total linear momentum. For compute temp/partial, if one or more velocity components are excluded, the value used for *extra* is scaled accordingly. You can use a negative number for the *extra* parameter if you need to add degrees-of-freedom. See the [compute temp/asphere](compute_temp_asphere) command for an example. The *dynamic/dof* or *dynamic* keyword determines whether the number of atoms $N$ in the compute group and their associated degrees of freedom (DOF) are re-computed each time a temperature is computed. Only compute styles that calculate a temperature use this option. By default, $N$ and their DOF are assumed to be constant. If you are adding atoms or molecules to the system (see the [fix pour](fix_pour), [fix deposit](fix_deposit), and [fix gcmc](fix_gcmc) commands) or expect atoms or molecules to be lost (e.g. due to exiting the simulation box or via [fix evaporate](fix_evaporate)), then this option should be used to ensure the temperature is correctly normalized. :::: note ::: title Note ::: The *extra* and *dynamic* keywords should not be used as they are deprecated (March 2017) and will eventually be disabled. Instead, use the equivalent *extra/dof* and *dynamic/dof* keywords. :::: ## Restrictions > none ## Related commands [compute](compute) ## Default The option defaults are extra/dof = 2 or 3 for 2d or 3d systems and dynamic/dof = *no*.