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Documentation"_ld - "LAMMPS Commands"_lc :c

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Bond, angle, dihedral, improper styles :h3

Classes that compute molecular interactions are derived from the Bond,
Angle, Dihedral, and Improper classes.  New styles can be created to
add new potentials to LAMMPS.

Bond_harmonic.cpp is the simplest example of a bond style.  Ditto for
the harmonic forms of the angle, dihedral, and improper style
commands.

Here is a brief description of common methods you define in your
new derived class.  See bond.h, angle.h, dihedral.h, and improper.h
for details and specific additional methods.

init: check if all coefficients are set, calls {init_style} (optional)
init_style: check if style specific conditions are met (optional)
compute: compute the molecular interactions (required)
settings: apply global settings for all types (optional)
coeff: set coefficients for one type (required)
equilibrium_distance: length of bond, used by SHAKE (required, bond only)
equilibrium_angle: opening of angle, used by SHAKE (required, angle only)
write & read_restart: writes/reads coeffs to restart files (required)
single: force and energy of a single bond or angle (required, bond or angle only)
memory_usage: tally memory allocated by the style (optional) :tb(s=:)