# compute efield/atom command ## Syntax ``` LAMMPS compute ID group-ID efield/atom keyword val ``` - ID, group-ID are documented in [compute](compute) command - efield/atom = style name of this compute command - zero or more keyword/value pairs may be appended - keyword = *pair* or *kspace* *pair* args = *yes* or *no* *kspace* args = *yes* or *no* ## Examples ``` LAMMPS compute 1 all efield/atom compute 1 all efield/atom pair yes kspace no ``` Used in input scripts: examples/PACKAGES/dielectric/in.confined examples/PACKAGES/dielectric/in.nopbc ## Description Define a computation that calculates the electric field at each atom in a group. The compute should only enabled with pair and kspace styles that are provided by the DIELECTRIC package because only these styles compute the per-atom electric field at every time step. The electric field is a 3-component vector. The value of the electric field components will be 0.0 for atoms not in the specified compute group. ------------------------------------------------------------------------ The keyword/value option pairs are used in the following ways. For the *pair* and *kspace* keywords, the real-space and reciprocal-space contributions to the electric field can be turned off and on. ## Output info This compute calculates a per-atom vector, which can be accessed by any command that uses per-atom values from a compute as input. See the [Howto output](Howto_output) page for an overview of LAMMPS output options. The per-atom vector values will be in electric field [units](units). ## Restrictions This compute is part of the DIELECTRIC package. It is only enabled if LAMMPS was built with that package. ## Related commands [dump custom](dump) ## Default The option defaults are pair = yes and kspace = yes.