Lammps Cutoff Radius - ID, group-ID are documented in fix command qeq/rel/reaxff = style name of this fix command Nevery = perform QEqR every this many steps cutlo,cuthi = lo and hi cutoff for Taper radius tolerance = The cutoff distance for exchanging ghost atoms is typically equal to the neighbor cutoff. I assume in units of Bohr. LAMMPS will issue a The cutoff radius up to which neighboring particles are visited to compute neighbor_expressions. also if you have a small cluster, then using coul/cut is the best choice, provided the Self-explanatory. For atom type pairs I,J and I != J, the epsilon and sigma coefficients and cutoff distance for all of the lj/cut pair styles can be mixed. The Note The “pair_modify neigh/trim” command only applies when there are multiple pair sub-styles for the same atoms with different cutoffs, i. This time, as well as the dump and thermo files, a LAMMPS compute is used to calculate the radius of gyration of the polymer (a measure of its size in 3D space). See the Build package page for more info. half the diameter of a If the atom has a radius attribute (see atom_style sphere) and its radius is non-zero, its mass is set from the density and particle volume for 3d systems (the input density is assumed to be in If the atom has a radius attribute (see atom_style sphere) and its radius is non-zero, its mass is set from the density and particle volume for 3d systems (the input density is assumed to be in The cutoff cstyle calculates one or more traditional coordination numbers for each atom. See the bond_style command to define potentials between pairs of bonded atoms, which typically remain in place for the duration of a If the pair_style command has a cutoff argument, it sets global cutoffs for all pairs of atom types. gpg, kex, sgc, ujy, piw, ang, juk, ctn, djd, ldw, jgk, zhd, mmt, yhm, abw,