[lammps-users] Bond Breaking and Bond Creation Potentials

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1

Hi Steve and Paul,

I’m just wondering if you have started development to implement bond breaking and bond creation potentials in the new version of LAMMPS.

2

We have a quartic/harmonic bond-breaking potential essentially done, but
it likely won't make it into the next release (end of March). But probably
as a patch soon after.

Bond creation is much more difficult. Mark Stevens ([email protected]...) has
a routine to do this for a particular potential in the older LAMMPS (2001),
but we haven't generalized it for the current LAMMPS.

Steve