Merge pull request #2596 from lammps/create-bonds-bugs
fix issues with multiple uses of create_bonds command
This commit is contained in:
@ -125,6 +125,16 @@ cannot appear in the neighbor list, to avoid creation of duplicate
|
||||
bonds. The neighbor list for all atom type pairs must also extend to
|
||||
a distance that encompasses the *rmax* for new bonds to create.
|
||||
|
||||
.. note::
|
||||
|
||||
If you want to create bonds between pairs of 1-3 or 1-4 atoms in
|
||||
the current bond topology, then you need to use :doc:`special_bonds
|
||||
lj 0 1 1 <special_bonds>` to insure those pairs appear in the
|
||||
neighbor list. They will not appear with the default special_bonds
|
||||
settings which are zero for 1-2, 1-3, and 1-4 atoms. 1-3 or 1-4
|
||||
atoms are those which are 2 hops or 3 hops apart in the bond
|
||||
topology.
|
||||
|
||||
An additional requirement for this style is that your system must be
|
||||
ready to perform a simulation. This means, for example, that all
|
||||
:doc:`pair_style <pair_style>` coefficients be set via the
|
||||
|
||||
Reference in New Issue
Block a user