From 0f89a8b2caf50226c002b2a958d5eb18e41dc39d Mon Sep 17 00:00:00 2001 From: jbcouli Date: Tue, 11 Jul 2023 10:42:26 -0600 Subject: [PATCH] explicit special_bonds commands for 1-2 coul weight equal to zero --- doc/src/Howto_bpm.rst | 10 ++++++++-- 1 file changed, 8 insertions(+), 2 deletions(-) diff --git a/doc/src/Howto_bpm.rst b/doc/src/Howto_bpm.rst index 448a43a654..380c114866 100644 --- a/doc/src/Howto_bpm.rst +++ b/doc/src/Howto_bpm.rst @@ -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