bond_coeff N args
- N = bond type (see asterisk form below)
- args = coefficients for one or more bond types
bond_coeff 5 80.0 1.2 bond_coeff * 30.0 1.5 1.0 1.0 bond_coeff 1*4 30.0 1.5 1.0 1.0 bond_coeff 1 harmonic 200.0 1.0
Specify the bond force field coefficients for one or more bond types. The number and meaning of the coefficients depends on the bond style. Bond coefficients can also be set in the data file read by the read_data command or in a restart file.
N can be specified in one of two ways. An explicit numeric value can be used, as in the 1st example above. Or a wild-card asterisk can be used to set the coefficients for multiple bond types. This takes the form “*” or “*n” or “n*” or “m*n”. If N = the number of bond types, then an asterisk with no numeric values means all types from 1 to N. A leading asterisk means all types from 1 to n (inclusive). A trailing asterisk means all types from n to N (inclusive). A middle asterisk means all types from m to n (inclusive).
Note that using a bond_coeff command can override a previous setting for the same bond type. For example, these commands set the coeffs for all bond types, then overwrite the coeffs for just bond type 2:
bond_coeff * 100.0 1.2 bond_coeff 2 200.0 1.2
A line in a data file that specifies bond coefficients uses the exact same format as the arguments of the bond_coeff command in an input script, except that wild-card asterisks should not be used since coefficients for all N types must be listed in the file. For example, under the “Bond Coeffs” section of a data file, the line that corresponds to the 1st example above would be listed as
5 80.0 1.2
Here is an alphabetic list of bond styles defined in LAMMPS. Click on the style to display the formula it computes and coefficients specified by the associated bond_coeff command.
Note that here are also additional bond styles submitted by users which are included in the LAMMPS distribution. The full list of all bond styles is on the Commands bond doc page.
- bond_style none - turn off bonded interactions
- bond_style hybrid - define multiple styles of bond interactions
- bond_style class2 - COMPASS (class 2) bond
- bond_style fene - FENE (finite-extensible non-linear elastic) bond
- bond_style fene/expand - FENE bonds with variable size particles
- bond_style harmonic - harmonic bond
- bond_style morse - Morse bond
- bond_style nonlinear - nonlinear bond
- bond_style quartic - breakable quartic bond
- bond_style table - tabulated by bond length