bond_style nonlinear command
bond_style nonlinear/omp command
bond_style nonlinear bond_coeff 2 100.0 1.1 1.4
The nonlinear bond style uses the potential
to define an anharmonic spring (Rector) of equilibrium length r0 and maximum extension lamda.
- epsilon (energy)
- r0 (distance)
- lamda (distance)
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 on the Speed packages doc page. 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 Build package doc page 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 the Speed packages doc page for more instructions on how to use the accelerated styles effectively.
This bond style can only be used if LAMMPS was built with the MOLECULE package. See the Build package doc page for more info.