Syntax:
pair_style morse cutoff
Examples:
pair_style morse 2.5 pair_style morse/opt 2.5 pair_coeff * * 100.0 2.0 1.5 pair_coeff 1 1 100.0 2.0 1.5 3.0
Description:
Style morse computes pairwise interactions with the formula
Rc is the cutoff.
The following coefficients must be defined for each pair of atoms types via the pair_coeff command as in the examples above, or in the data file or restart files read by the read_data or read_restart commands:
The last coefficient is optional. If not specified, the global morse cutoff is used.
Style morse/opt is an optimized version of style morse that should give identical answers. Depending on system size and the processor you are running on, it may be 5-25% faster (for the pairwise portion of the run time).
Restrictions:
The morse potential does not support the pair_modify mix option. Coefficients for all i,j pairs must be specified explicitly.
The morse/opt style is part of the "opt" package. It is only enabled if LAMMPS was built with that package. See the Making LAMMPS section for more info.
Related commands:
Default: none