Loading doc/pair_reax.txt +2 −1 Original line number Diff line number Diff line Loading @@ -36,7 +36,8 @@ used in: "(Strachan et al., 2005)"_#Strachan_2005. LAMMPS provides a ReaxFF potential file in its potentials dir, namely potentials/ffield.reax. Its format is identical to that used by van Duin and co-workers. It contains parameterizations for the following elements: C, H, O, N, S, and Si. You can use your another file in elements: C, H, O, N, S (Si has been temporarily removed). You can use another file in place of it, and ReaxFF files with parameterizations for other elements or for specific chemical systems may be available elsewhere. Loading Loading
doc/pair_reax.txt +2 −1 Original line number Diff line number Diff line Loading @@ -36,7 +36,8 @@ used in: "(Strachan et al., 2005)"_#Strachan_2005. LAMMPS provides a ReaxFF potential file in its potentials dir, namely potentials/ffield.reax. Its format is identical to that used by van Duin and co-workers. It contains parameterizations for the following elements: C, H, O, N, S, and Si. You can use your another file in elements: C, H, O, N, S (Si has been temporarily removed). You can use another file in place of it, and ReaxFF files with parameterizations for other elements or for specific chemical systems may be available elsewhere. Loading
