Loading doc/src/pair_nb3b_harmonic.txt +6 −4 Original line number Diff line number Diff line Loading @@ -80,10 +80,12 @@ For a given entry, if the first three arguments are all different, then the entry is for the {K} and {theta_0} parameters (the cutoff in this case is irrelevant). It is {not} required that the potential file contain entries for all of the elements listed in the pair_coeff command. It can also contain entries for additional elements not being used in a particular simulation; LAMMPS ignores those entries. It is required that the potential file contains entries for {all} permutations of the elements listed in the pair_coeff command. If certain combinations are not parameterized the corresponding parameters should be set to zero. The potential file can also contain entries for additional elements which are not used in a particular simulation; LAMMPS ignores those entries. :line Loading Loading
doc/src/pair_nb3b_harmonic.txt +6 −4 Original line number Diff line number Diff line Loading @@ -80,10 +80,12 @@ For a given entry, if the first three arguments are all different, then the entry is for the {K} and {theta_0} parameters (the cutoff in this case is irrelevant). It is {not} required that the potential file contain entries for all of the elements listed in the pair_coeff command. It can also contain entries for additional elements not being used in a particular simulation; LAMMPS ignores those entries. It is required that the potential file contains entries for {all} permutations of the elements listed in the pair_coeff command. If certain combinations are not parameterized the corresponding parameters should be set to zero. The potential file can also contain entries for additional elements which are not used in a particular simulation; LAMMPS ignores those entries. :line Loading
