Syntax:
pair_style gauss cutoff
Examples:
pair_style gauss 12.0 pair_coeff * * 1.0 0.9 pair_coeff 1 4 1.0 0.9 10.0
Description:
Style gauss computes a tethering potential of the form
between an atom and its corresponding tether site which will typically be a frozen atom in the simulation. Rc is the cutoff.
The following coefficients must be defined for each pair of atom 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 is used.
Mixing, shift, table, tail correction, restart, rRESPA info:
This pair style does not support mixing. Thus, coefficients for all I,J pairs must be specified explicitly.
This pair style does not support the pair_modify shift option. There is no effect due to the Gaussian well beyond the cutoff; hence reasonable cutoffs need to be specified.
The pair_modify table and tail options are not relevant for this pair style.
This pair style does not support the pair_modify table option, since a tabulation capability does not exist for this potential.
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