Syntax:
pair_style beck Rc
Examples:
pair_style beck 8.0 pair_coeff * * 399.671876712 0.0000867636112694 0.675 4.390 0.0003746 pair_coeff 1 1 399.671876712 0.0000867636112694 0.675 4.390 0.0003746 6.0
Description:
Style beck computes interactions based on the potential by (Beck), originally designed for simulation of Helium. It includes truncation at a cutoff distance Rc.
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 cutoff Rc is used.
Mixing, shift, table, tail correction, restart, rRESPA info:
For atom type pairs I,J and I != J, coeffiecients must be specified. No default miture rules are used.
This pair style does not support the pair_modify shift option for the energy of the pair interaction.
The pair_modify table option is not relevant for this pair style.
This pair style does not support the pair_modify tail option for adding long-range tail corrections.
This pair style writes its information to binary restart files, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file.
This pair style can only be used via the pair keyword of the run_style respa command. It does not support the inner, middle, outer keywords.
Restrictions: none
Related commands:
Default: none
(Beck) Beck, Molecular Physics, 14, 311 (1968).