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Commit edc95d9a authored by athomps's avatar athomps
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Added fix_species

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9517 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent c9bf647a
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...@@ -31,6 +31,7 @@ neigh_modify delay 0 every 5 check no ...@@ -31,6 +31,7 @@ neigh_modify delay 0 every 5 check no
fix 1 all nve fix 1 all nve
fix 2 all qeq/reax 1 0.0 10.0 1.0e-6 reax/c fix 2 all qeq/reax 1 0.0 10.0 1.0e-6 reax/c
#fix 3 all reax/c/bonds 1 3 5 bonds.reaxc
thermo 5 thermo 5
thermo_style custom step temp epair etotal press & thermo_style custom step temp epair etotal press &
...@@ -45,7 +46,6 @@ timestep 0.0625 ...@@ -45,7 +46,6 @@ timestep 0.0625
# axes yes 0.8 0.02 view 60 -30 # axes yes 0.8 0.02 view 60 -30
#dump_modify 1 pad 3 #dump_modify 1 pad 3
fix 3 all reax/c/bonds 1 1 25 bonds.reaxc.tatb fix 3 all species 1 5 5 species.tatb
run 25 run 25
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