Dear LAMMPS users and developers,
I want to change the atom type of the atoms of a bond broke by fix bond/break command.
Does anybody have a tip to do that in an elegant way?
Many thanks,
Fernanda S Teixeira
Dear LAMMPS users and developers,
I want to change the atom type of the atoms of a bond broke by fix bond/break command.
Does anybody have a tip to do that in an elegant way?
Many thanks,
Fernanda S Teixeira
Dear LAMMPS users and developers,
I want to change the atom type of the atoms of a bond broke by fix
bond/break command.
Does anybody have a tip to do that in an elegant way?
modify fix bond/break?
axel.
Hi Axel,
Do you mean modify and compile fix_bond_break.cpp ?
Fernanda
Hi Axel,
Do you mean modify and compile fix_bond_break.cpp ?
yes, and fix_bond_break.h and whichever other file may be related.
there is similar feature in fix bond/create, where the atom type can be
changed after an atom has reached N bonds (iparam, jparam), so implementing
the feature you desire in a similar fashion would be desirable.
axel.
Ok!
Thank you!