angle_style gaussian command¶
angle_style gaussian angle_coeff 1 300.0 2 0.0128 0.375 80.0 0.0730 0.148 123.0
The gaussian angle style uses the potential:
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 angle type via the angle_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)
\(A_1\) (> 0, radians)
\(w_1\) (> 0, radians)
\(A_n\) (> 0, radians)
\(w_n\) (> 0, radians)
This angle style can only be used if LAMMPS was built with the EXTRA-MOLECULE package. See the Build package doc page for more info.
(Milano) G. Milano, S. Goudeau, F. Mueller-Plathe, J. Polym. Sci. B Polym. Phys. 43, 871 (2005).