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bond_style harmonic/shift command

Syntax:

bond_style harmonic/shift 

Examples:

bond_style harmonic/shift
bond_coeff 5 10.0 0.5 1.0 

Description:

The harmonic/shift bond style is a shifted harmonic bond that uses the potential

where r0 is the equilibrium bond distance, and rc the critical distance. The potential is -Umin at r0 and zero at rc. The spring constant is k = Umin / [ 2 (r0-rc)^2].

The following coefficients must be defined for each bond type via the bond_coeff command as in the example above, or in the data file or restart files read by the read_data or read_restart commands:

Restrictions:

This bond style can only be used if LAMMPS was built with the USER-MISC package. See the Making LAMMPS section for more info on packages.

Related commands:

bond_coeff, delete_bonds, bond_harmonic

Default: none