hi,
i am trying to use the lammps soft. But I was confused by the potentials. For example, when you use the cvff potentials, i don’t see the crossterm in the handbook. Does it mean the soft has omitted the crossterm(bond) potential.
Xue Chunyu
Soft is a pair potential. It has nothing to do with cvff. It's simply
a push-off potential for overlapping atoms. So it has no bond term.
The typical use is to equilibrate (un-overlap) your system with soft.
Then invoke the real potential you want (e.g. cvff) to run from there.
Steve