[lammps-users] A problem about the functions in Pair_style lj/cut.cpp

All

I want to modify the “Pair_style lj/cut.cpp” codes to obtain a new pairwise potential. I was confused by the functions “compute_inner(),middle() and outer()”.

Is there anyone who can tell me what is the function of these functions? Are they just for rRespa? If I won’t use rRespa,can I delete these three parts?

Any help will be appreciated!

Zhang

All

             I want to modify the "Pair_style lj/cut.cpp" codes to
obtain a new pairwise potential. I was confused by the functions
"compute_inner(),middle() and outer()".

it is explained in the documentation:
http://lammps.sandia.gov/doc/Section_modify.html#pair

              Is there anyone who can tell me what is the function of
these functions? Are they just for rRespa? If I won't use rRespa,can I
delete these three parts?

why do you want to delete them???

axel.

They are just for rRESPA. If you new potential doesn't care about
splitting the pair style for rRESPA, then it doesn't need to define those
funcs. Note it then should not define respa_enable = 1 in its
constructor.

Steve