forked from lijiext/lammps
61 lines
2.0 KiB
Plaintext
61 lines
2.0 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 hybrid command :h3
|
|
|
|
[Syntax:]
|
|
|
|
bond_style hybrid style1 style2 ... :pre
|
|
|
|
style1,style2 = list of one or more bond styles :ul
|
|
|
|
[Examples:]
|
|
|
|
bond_style hybrid harmonic fene
|
|
bond_coeff 1 harmonic 80.0 1.2
|
|
bond_coeff 2* fene 30.0 1.5 1.0 1.0 :pre
|
|
|
|
[Description:]
|
|
|
|
The {hybrid} style enables the use of multiple bond styles in one
|
|
simulation. A bond style is assigned to each bond type. For example,
|
|
bonds in a polymer flow (of bond type 1) could be computed with a
|
|
{fene} potential and bonds in the wall boundary (of bond type 2) could
|
|
be computed with a {harmonic} potential. The assignment of bond type
|
|
to style is made via the "bond_coeff"_bond_coeff.html command or in
|
|
the data file.
|
|
|
|
In the bond_coeff command, the first coefficient sets the bond style
|
|
and the remaining coefficients are those appropriate to that style.
|
|
In the example above, the 2 bond_coeff commands would set bonds of
|
|
bond type 1 to be computed with a {harmonic} potential with
|
|
coefficients 80.0, 1.2 for K, r0. All other bond types (2-N) would be
|
|
computed with a {fene} potential with coefficients 30.0, 1.5, 1.0, 1.0
|
|
for K, R0, epsilon, sigma.
|
|
|
|
A bond style of {none} can be specified as an argument to bond_style
|
|
hybrid and the corresponding bond_coeff commands, if you desire to
|
|
turn off certain bond types.
|
|
|
|
[Restrictions:]
|
|
|
|
This bond style can only be used if LAMMPS was built with the
|
|
"molecular" package (which it is by default). See the "Making
|
|
LAMMPS"_Section_start.html#2_3 section for more info on packages.
|
|
|
|
Unlike other bond styles, the hybrid bond style does not store bond
|
|
coefficient info for individual sub-styles in a "binary restart
|
|
files"_restart.html. Thus when retarting a simulation from a restart
|
|
file, you need to re-specify bond_coeff commands.
|
|
|
|
[Related commands:]
|
|
|
|
"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html
|
|
|
|
[Default:] none
|