Dear LAMMPS developers,
The equations in the documentation for the command “lj/mdf” (http://lammps.sandia.gov/doc/pair_mdf.html) are not displaying. Could you please fix this problem?
Thanks,
Jibao
Dear LAMMPS developers,
The equations in the documentation for the command “lj/mdf” (http://lammps.sandia.gov/doc/pair_mdf.html) are not displaying. Could you please fix this problem?
Thanks,
Jibao
oops - looks like we don’t have them - will have to contact the developer
who sent us the code …
Steve
Dear Steve,
Thank you. Could you please contact them and update the equations? I appreciate your time and help!
Thanks,
Jibao
Dear Steve,
Another question related to the cutoff in LAMMPS: At the cutoff, are the LJ and Coulomb potential by default shifted to zero by subtracting the value at the cut-off to ensure that the energy is the integral of the force?
Thanks,
Jibao
done
Steve
See the pair_modify shift keyword. It shifts the LJ energy. No shifts
are applied to Coulombic. Shifts do not affect dynamics.
Steve
Thank you so much!
Jibao