# compute temp/deform/eff command ## Syntax ``` LAMMPS compute ID group-ID temp/deform/eff ``` - ID, group-ID are documented in [compute](compute) command - temp/deform/eff = style name of this compute command ## Examples ``` LAMMPS compute myTemp all temp/deform/eff ``` ## Description Define a computation that calculates the temperature of a group of nuclei and electrons in the [electron force field](pair_eff) model, after subtracting out a streaming velocity induced by the simulation box changing size and/or shape, for example in a non-equilibrium MD (NEMD) simulation. The size/shape change is induced by use of the [fix deform](fix_deform) command. A compute of this style is created by the [fix nvt/sllod/eff](fix_nvt_sllod_eff) command to compute the thermal temperature of atoms for thermostatting purposes. A compute of this style can also be used by any command that computes a temperature (e.g., [thermo_modify](thermo_modify), [fix npt/eff](fix_nh_eff)). The calculation performed by this compute is exactly like that described by the [compute temp/deform](compute_temp_deform) command, except that the formula for the temperature includes the radial electron velocity contributions, as discussed by the [compute temp/eff](compute_temp_eff) command. Note that only the translational degrees of freedom for each nuclei or electron are affected by the streaming velocity adjustment. The radial velocity component of the electrons is not affected. ## Output info This compute calculates a global scalar (the temperature) and a global vector of length 6 (KE tensor), which can be accessed by indices 1\--6. These values can be used by any command that uses global scalar or vector values from a compute as input. See the [Howto output](Howto_output) page for an overview of LAMMPS output options. The scalar value calculated by this compute is \"intensive\". The vector values are \"extensive\". The scalar value will be in temperature [units](units). The vector values will be in energy [units](units). ## Restrictions This compute is part of the EFF package. It is only enabled if LAMMPS was built with that package. See the [Build package](Build_package) page for more info. ## Related commands [compute temp/ramp](compute_temp_ramp), [fix deform](fix_deform), [fix nvt/sllod/eff](fix_nvt_sllod_eff) ## Default none