Hi:
In the source code of the file pair_lj_cut.cpp, the force between 2 atoms is computed as:
if (j < nall) factor_lj = 1.0;
else {
factor_lj = special_lj[j/nall];
j %= nall;
}
Hi:
In the source code of the file pair_lj_cut.cpp, the force between 2 atoms is computed as:
if (j < nall) factor_lj = 1.0;
else {
factor_lj = special_lj[j/nall];
j %= nall;
}
Yes, the LJ settings in the special_bonds command are applied
by pair dpd to turn on/off 1-2, 1-3, 1-4 interactions in a bonded
molecule.
Steve