# bond_style gaussian command¶

## Syntax¶

bond_style gaussian


## Examples¶

bond_style gaussian
bond_coeff 1 300.0 2 0.0128 0.375 3.37 0.0730 0.148 3.63


## Description¶

The gaussian bond style uses the potential:

$E = -k_B T ln\left(\sum_{i=1}^{n} \frac{A_i}{w_i \sqrt{\pi/2}} exp\left( \frac{-(r-r_{i})^2}{w_i^2})\right) \right)$

This analytical form is a suitable potential for obtaining mesoscale effective force fields which can reproduce target atomistic distributions (Milano)

The following coefficients must be defined for each bond type via the bond_coeff command as in the example above, or in the data file or restart files read by the read_data or read_restart commands:

• T temperature at which the potential was derived

• $$n$$ (integer >=1)

• $$A_1$$ (-)

• $$w_1$$ (-)

• $$r_1$$ (length)

• $$A_n$$ (-)

• $$w_n$$ (-)

• $$r_n$$ (length)

## Restrictions¶

This bond style can only be used if LAMMPS was built with the EXTRA-MOLECULE package. See the Build package doc page for more info.

## Default¶

none

(Milano) G. Milano, S. Goudeau, F. Mueller-Plathe, J. Polym. Sci. B Polym. Phys. 43, 871 (2005).