diff --git a/doc/pair_reax.html b/doc/pair_reax.html index c1c02a8d23..d30ad3eeab 100644 --- a/doc/pair_reax.html +++ b/doc/pair_reax.html @@ -150,6 +150,10 @@ performed. This can be used when a ReaxFF potential is used as part of the hybrid pair style. The NULL values are placeholders for atom types that will be used with other potentials.
+IMPORTANT NOTE: Currently the reax pair style cannot be used as part +of the hybrid pair style. Some additional changes still need to be +made to enable this. +
As an example, say your LAMMPS simulation has 4 atom types and the elements are ordered as C, H, O, N in the ffield file. If you want the LAMMPS atom type 1 and 2 to be C, type 3 to be N, and type 4 to be @@ -188,7 +192,8 @@ appropriate units if your simulation doesn't use "real" units.
Default:
-The keyword defaults are hbcut = 6, hbnewflag = 1, tripflag = 1, precision = 1.0e-6 +
The keyword defaults are hbcut = 6, hbnewflag = 1, tripflag = 1, +precision = 1.0e-6.
IMPORTANT NOTE: Currently the reax/c pair style cannot be used as part +of the hybrid pair style. Some additional work still need to be +done to enable this. +
As an example, say your LAMMPS simulation has 4 atom types and the elements are ordered as C, H, O, N in the ffield file. If you want the LAMMPS atom type 1 and 2 to be C, type 3 to be N, and type 4 to be diff --git a/doc/pair_reax_c.txt b/doc/pair_reax_c.txt index cf51eff8a2..4fde669ed8 100644 --- a/doc/pair_reax_c.txt +++ b/doc/pair_reax_c.txt @@ -144,6 +144,10 @@ performed. This can be used when the {reax/c} style is used as part of the {hybrid} pair style. The NULL values are placeholders for atom types that will be used with other potentials. +IMPORTANT NOTE: Currently the reax/c pair style cannot be used as part +of the {hybrid} pair style. Some additional work still need to be +done to enable this. + As an example, say your LAMMPS simulation has 4 atom types and the elements are ordered as C, H, O, N in the {ffield} file. If you want the LAMMPS atom type 1 and 2 to be C, type 3 to be N, and type 4 to be