angle_style cosine/delta command

angle_style cosine/delta/omp command

Syntax

angle_style cosine/delta

Examples

angle_style cosine/delta
angle_coeff 2*4 75.0 100.0

Description

The cosine/delta angle style uses the potential

_images/angle_cosine_delta.jpg

where theta0 is the equilibrium value of the angle, and K is a prefactor. Note that the usual 1/2 factor is included in K.

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:

  • K (energy)
  • theta0 (degrees)

Theta0 is specified in degrees, but LAMMPS converts it to radians internally.


Styles with a gpu, intel, kk, omp, or opt 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 5 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 GPU, USER-INTEL, KOKKOS, USER-OMP and OPT packages, respectively. They are only enabled if LAMMPS was built with those packages. 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 5 of the manual for more instructions on how to use the accelerated styles effectively.


Restrictions

This angle style can only be used if LAMMPS was built with the MOLECULE package. See the Making LAMMPS section for more info on packages.