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explicit special_bonds commands for 1-2 coul weight equal to zero

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jbcouli
2023-07-11 10:42:26 -06:00
parent 60b45f9766
commit 0f89a8b2ca
1 changed files with 8 additions and 2 deletions
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doc/src/Howto_bpm.rst
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@ -110,8 +110,14 @@ ensures all bonded neighbors are still included in the neighbor list
in case bonds break between neighbor list builds. If bond breakage is
disabled during a simulation run by setting the *break* keyword to *no*,
a zero coul weight for 1-2 bonds can be used to exclude bonded atoms
from the neighbor list builds. This can be useful for post-processing,
or to determine pair interaction properties between distinct bonded particles.
from the neighbor list builds
.. code-block:: LAMMPS
special_bonds lj 0 1 1 coul 0 1 1
This can be useful for post-processing, or to determine pair interaction
properties between distinct bonded particles.
To monitor the fracture of bonds in the system, all BPM bond styles
have the ability to record instances of bond breakage to output using