Syntax:
fix ID group-ID efield ex ey ez
Examples:
fix kick external-field efield 1.0 0.0 0.0 fix kick external-field efield 0.0 0.0 v_oscillate
Description:
Add a force F = qE to each charged atom in the group due to an external electric field being applied to the system.
Any of the 3 quantities defining the E-field components can be specified as an equal-style or atom-style variable, namely ex, ey, ez. If the value is a variable, it should be specified as v_name, where name is the variable name. In this case, the variable will be evaluated each timestep, and its value used to determine the E-field component.
Equal-style variables can specify formulas with various mathematical functions, and include thermo_style command keywords for the simulation box parameters and timestep and elapsed time. Thus it is easy to specify a time-dependent E-field.
Atom-style variables can specify the same formulas as equal-style variables but can also include per-atom values, such as atom coordinates. Thus it is easy to specify a spatially-dependent E-field with optional time-dependence as well.
Restart, fix_modify, output, run start/stop, minimize info:
No information about this fix is written to binary restart files.
The fix_modify energy option is supported by this fix to add the potential "energy" inferred by the added force to the system's potential energy as part of thermodynamic output. This is a fictitious quantity but is needed so that the minimize command can include the forces added by this fix in a consistent manner. I.e. there is a decrease in potential energy when atoms move in the direction of the added force.
This fix computes a global scalar and a global 3-vector of forces, which can be accessed by various output commands. The scalar is the potential energy discussed above. The vector is the total force added to the group of atoms. The scalar and vector values calculated by this fix are "extensive".
No parameter of this fix can be used with the start/stop keywords of the run command.
The forces due to this fix are imposed during an energy minimization, invoked by the minimize command. You should not specify force components with a variable that has time-dependence for use with a minimizer, since the minimizer increments the timestep as the iteration count during the minimization.
IMPORTANT NOTE: If you want the fictitious potential energy associated with the added forces to be included in the total potential energy of the system (the quantity being minimized), you MUST enable the fix_modify energy option for this fix.
Restrictions: none
Related commands:
Default: none