# pair_style mie/cut command

Accelerator Variants: *mie/cut/gpu*

## Syntax

``` LAMMPS
pair_style mie/cut cutoff
```

-   cutoff = global cutoff for mie/cut interactions (distance units)

## Examples

``` LAMMPS
pair_style mie/cut 10.0
pair_coeff 1 1 0.72 3.40 23.00 6.66
pair_coeff 2 2 0.30 3.55 12.65 6.00
pair_coeff 1 2 0.46 3.32 16.90 6.31
```

## Description

The *mie/cut* style computes the Mie potential, given by

$$E =  C \epsilon \left[ \left(\frac{\sigma}{r}\right)^{\gamma_{rep}} - \left(\frac{\sigma}{r}\right)^{\gamma_{att}} \right]
                      \qquad r < r_c$$

Rc is the cutoff and C is a function that depends on the repulsive and
attractive exponents, given by:

$$C = \left(\frac{\gamma_{rep}}{\gamma_{rep}-\gamma_{att}}\right) \left(\frac{\gamma_{rep}}{\gamma_{att}}\right)^{\left(\frac{\gamma_{att}}{\gamma_{rep}-\gamma_{att}}\right)}$$

Note that for 12/6 exponents, C is equal to 4 and the formula is the
same as the standard Lennard-Jones potential.

The following coefficients must be defined for each pair of atoms types
via the [pair_coeff](pair_coeff) command as in the examples above, or in
the data file or restart files read by the [read_data](read_data) or
[read_restart](read_restart) commands, or by mixing as described below:

-   epsilon (energy units)
-   sigma (distance units)
-   gammaR
-   gammaA
-   cutoff (distance units)

The last coefficient is optional. If not specified, the global cutoff
specified in the pair_style command is used.

------------------------------------------------------------------------

## Mixing, shift, table, tail correction, restart, rRESPA info

For atom type pairs I,J and I != J, the epsilon and sigma coefficients
and cutoff distance for all of the mie/cut pair styles can be mixed. If
not explicitly defined, both the repulsive and attractive gamma
exponents for different atoms will be calculated following the same
mixing rule defined for distances. The default mix value is *geometric*.
See the \"pair_modify\" command for details.

This pair style supports the [pair_modify](pair_modify) shift option for
the energy of the pair interaction.

This pair style supports the [pair_modify](pair_modify) tail option for
adding a long-range tail correction to the energy and pressure of the
pair interaction.

This pair style writes its information to [binary restart
files](restart), so pair_style and pair_coeff commands do not need to be
specified in an input script that reads a restart file.

This pair style supports the use of the *inner*, *middle*, and *outer*
keywords of the [run_style respa](run_style) command, meaning the
pairwise forces can be partitioned by distance at different levels of
the rRESPA hierarchy. See the [run_style](run_style) command for
details.

------------------------------------------------------------------------

## Restrictions

This pair style is part of the EXTRA-PAIR package. It is only enabled if
LAMMPS was built with that package. See the [Build
package](Build_package) page for more info.

## Related commands

[pair_coeff](pair_coeff)

## Default

none

------------------------------------------------------------------------

::: {#Mie}
**(Mie)** G. Mie, Ann Phys, 316, 657 (1903).
:::

::: {#Avendano}
**(Avendano)** C. Avendano, T. Lafitte, A. Galindo, C. S. Adjiman, G.
Jackson, E. Muller, J Phys Chem B, 115, 11154 (2011).
:::