diff --git a/examples/reax/in.reax.rdx b/examples/reax/in.reax.rdx index 288812fedf..053546577e 100644 --- a/examples/reax/in.reax.rdx +++ b/examples/reax/in.reax.rdx @@ -6,7 +6,8 @@ units real atom_style charge read_data data.rdx -pair_style reax 10.0 0 1.0e-6 +# reax args: hbcut hbnewflag tripflag precision +pair_style reax 10.0 0 1 1.0e-6 pair_coeff * * ffield.reax 1 2 3 4 compute reax all pair reax diff --git a/examples/reax/in.reax.tatb b/examples/reax/in.reax.tatb index f612a2e6b9..e2be3e6b8d 100644 --- a/examples/reax/in.reax.tatb +++ b/examples/reax/in.reax.tatb @@ -7,9 +7,9 @@ atom_style charge read_data data.tatb # N.B. to match reax/c, set hbnewflag = 1 -# reax args: hbcut hbnewflag precision -#pair_style reax 10.0 1 1.0e-6 -pair_style reax 10.0 0 1.0e-6 +# reax args: hbcut hbnewflag tripflag precision +#pair_style reax 10.0 1 1 1.0e-6 +pair_style reax 10.0 0 1 1.0e-6 pair_coeff * * ffield.reax 1 2 3 4 compute reax all pair reax diff --git a/examples/reax/in.reax_c.rdx b/examples/reax/in.reax_c.rdx index 8f5e67c591..a3b1efca55 100644 --- a/examples/reax/in.reax_c.rdx +++ b/examples/reax/in.reax_c.rdx @@ -39,4 +39,5 @@ timestep 1.0 dump 1 all atom 10 dump.reax.rdx + run 100