fix setforce command — LAMMPS 15 May 2015 version documentation

# fix setforce command

# fix setforce/cuda command

## Syntax

    fix ID group-ID setforce fx fy fz keyword value ...

- ID, group-ID are documented in fix command
- setforce = style name of this fix command
- fx,fy,fz = force component values
- any of fx,fy,fz can be a variable (see below)
- zero or more keyword/value pairs may be appended to args
- keyword = region

    region value = region-ID
      region-ID = ID of region atoms must be in to have added force

## Examples

    fix freeze indenter setforce 0.0 0.0 0.0
    fix 2 edge setforce NULL 0.0 0.0
    fix 2 edge setforce NULL 0.0 v_oscillate

## Description

Set each component of force on each atom in the group to the specified values fx,fy,fz. This erases all previously computed forces on the atom, though additional fixes could add new forces. This command can be used to freeze certain atoms in the simulation by zeroing their force, either for running dynamics or performing an energy minimization. For dynamics, this assumes their initial velocity is also zero.

Any of the fx,fy,fz values can be specified as NULL which means do not alter the force component in that dimension.

Any of the 3 quantities defining the force components can be specified as an equal-style or atom-style variable, namely fx, fy, fz. 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 force 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 force 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 force field with optional time-dependence as well.

If the region keyword is used, the atom must also be in the specified geometric region in order to have force added to it.

Styles with a cuda suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in Section_accelerate of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues.

These accelerated styles are part of the USER-CUDA package. They are only enabled if LAMMPS was built with that package. See the Making LAMMPS section for more info.

You can specify the accelerated styles explicitly in your input script by including their suffix, or you can use the -suffix command-line switch when you invoke LAMMPS, or you can use the suffix command in your input script.

See Section_accelerate of the manual for more instructions on how to use the accelerated styles effectively.

## Restart, fix_modify, output, run start/stop, minimize info

No information about this fix is written to binary restart files. None of the fix_modify options are relevant to this fix.

This fix computes a global 3-vector of forces, which can be accessed by various output commands. This is the total force on the group of atoms before the forces on individual atoms are changed by the fix. The 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, but you cannot set forces to any value besides zero when performing a minimization. Use the fix addforce command if you want to apply a non-zero force to atoms during a minimization.

## Restrictions

> none

## Related commands

fix addforce, fix aveforce

Default: none