diff --git a/examples/reax/AB/in.AB b/examples/reax/AB/in.AB index a7f1ae33eed645902ef8250896533a2a2ba8768b..4c48250de590f80d64b087c1e9c7250ae7f9ae8a 100644 --- a/examples/reax/AB/in.AB +++ b/examples/reax/AB/in.AB @@ -7,7 +7,7 @@ atom_style charge read_data data.AB pair_style reax/c lmp_control -pair_coeff * * ffield.reax.AB 1 4 3 +pair_coeff * * ffield.reax.AB H B N neighbor 2 bin neigh_modify every 10 delay 0 check no diff --git a/examples/reax/Au_O/in.AuO b/examples/reax/Au_O/in.AuO index 2e385f8c98bdd9bda33c97b1cafbe40a495029fd..2e7e5dc001f0ef51c89f03912569edd883b8c42f 100644 --- a/examples/reax/Au_O/in.AuO +++ b/examples/reax/Au_O/in.AuO @@ -7,7 +7,7 @@ atom_style charge read_data data.AuO pair_style reax/c lmp_control -pair_coeff * * ffield.reax.AuO 2 3 +pair_coeff * * ffield.reax.AuO O Au neighbor 2 bin neigh_modify every 10 delay 0 check no diff --git a/examples/reax/CHO/in.CHO b/examples/reax/CHO/in.CHO index 021e5fdc42b869ea9decf7b1bd27c05c2785fa89..668be5eee0a4ec67f865a782701fb98a904ec9a2 100644 --- a/examples/reax/CHO/in.CHO +++ b/examples/reax/CHO/in.CHO @@ -7,7 +7,7 @@ atom_style charge read_data data.CHO pair_style reax/c lmp_control -pair_coeff * * ffield.reax.cho 2 1 3 +pair_coeff * * ffield.reax.cho H C O neighbor 2 bin neigh_modify every 10 delay 0 check no diff --git a/examples/reax/Fe_O_H/in.FeOH3 b/examples/reax/Fe_O_H/in.FeOH3 index 2a7e13fb984cad14baf70607627f0fcba6147346..71987a1398ce3c4b2d7e21c76f174f8b231d57bd 100644 --- a/examples/reax/Fe_O_H/in.FeOH3 +++ b/examples/reax/Fe_O_H/in.FeOH3 @@ -7,7 +7,7 @@ atom_style charge read_data data.FeOH3 pair_style reax/c lmp_control -pair_coeff * * ffield.reax.Fe_O_C_H 2 3 4 +pair_coeff * * ffield.reax.Fe_O_C_H H O Fe neighbor 2 bin neigh_modify every 10 delay 0 check no diff --git a/examples/reax/RDX/in.RDX b/examples/reax/RDX/in.RDX index bdab6de560d7ccb28f406badb2aa9d04af578ca0..d8f5e5866597a70d0357756ec8a5b9145b8f36b4 100644 --- a/examples/reax/RDX/in.RDX +++ b/examples/reax/RDX/in.RDX @@ -7,7 +7,7 @@ atom_style charge read_data data.RDX pair_style reax/c lmp_control -pair_coeff * * ffield.reax.rdx 2 1 3 4 +pair_coeff * * ffield.reax.rdx H C O N neighbor 2 bin neigh_modify every 10 delay 0 check no diff --git a/examples/reax/V_O_H/in.VOH b/examples/reax/V_O_H/in.VOH index 16eb547fce572fefab3da2c27ca57a970fe1ad4e..42fe3376477a8e7be23bdff5d622eaa82c71b8a0 100644 --- a/examples/reax/V_O_H/in.VOH +++ b/examples/reax/V_O_H/in.VOH @@ -7,7 +7,7 @@ atom_style charge read_data data.VOH pair_style reax/c lmp_control -pair_coeff * * ffield.reax.V_O_C_H 2 1 3 4 +pair_coeff * * ffield.reax.V_O_C_H H C O V neighbor 2 bin neigh_modify every 10 delay 0 check no diff --git a/examples/reax/Zn_O_H/in.ZnOH2 b/examples/reax/Zn_O_H/in.ZnOH2 index fe4c3395a438b4df6e9aca13e3293789d215f9b4..ed2c4d2f3606f25a197cec3d3c4bc3995b2308dc 100644 --- a/examples/reax/Zn_O_H/in.ZnOH2 +++ b/examples/reax/Zn_O_H/in.ZnOH2 @@ -7,7 +7,7 @@ atom_style charge read_data data.ZnOH2 pair_style reax/c lmp_control -pair_coeff * * ffield.reax.ZnOH 1 2 3 +pair_coeff * * ffield.reax.ZnOH H O Zn neighbor 2 bin neigh_modify every 10 delay 0 check no