forked from lijiext/lammps
54 lines
1.2 KiB
Plaintext
54 lines
1.2 KiB
Plaintext
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
|
|
|
|
:link(lws,http://lammps.sandia.gov)
|
|
:link(ld,Manual.html)
|
|
:link(lc,Section_commands.html#comm)
|
|
|
|
:line
|
|
|
|
bond_style fene command :h3
|
|
|
|
[Syntax:]
|
|
|
|
bond_style fene :pre
|
|
|
|
[Examples:]
|
|
|
|
bond_style fene
|
|
bond_coeff 1 30.0 1.5 1.0 1.0 :pre
|
|
|
|
[Description:]
|
|
|
|
The {fene} bond style uses the potential
|
|
|
|
:c,image(Eqs/bond_fene.jpg)
|
|
|
|
to define a finite extensible nonlinear elastic (FENE) potential
|
|
"(Kremer)"_#Kremer, used for bead-spring polymer models. The first
|
|
term is attractive, the 2nd Lennard-Jones term is repulsive. The
|
|
first term extends to R0, the maximum extent of the bond. The 2nd
|
|
term is cutoff at 2^(1/6) sigma, the minimum of the LJ potential.
|
|
|
|
The following coefficients must be defined for each bond type via the
|
|
"bond_coeff"_bond_coeff.html command as in the example above, or in
|
|
the data file or restart files read by the "read_data"_read_data.html
|
|
or "read_restart"_read_restart.html commands:
|
|
|
|
K (energy/distance^2)
|
|
R0 (distance)
|
|
epsilon (energy)
|
|
sigma (distance) :ul
|
|
|
|
[Restrictions:] none
|
|
|
|
[Related commands:]
|
|
|
|
"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html
|
|
|
|
[Default:] none
|
|
|
|
:line
|
|
|
|
:link(Kremer)
|
|
[(Kremer)] Kremer, Grest, J Chem Phys, 92, 5057 (1990).
|