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Removed unneeded changes to input scripts 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6090 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps 2011-05-12 21:31:44 +00:00
parent 022748a56e
commit 4fa9d24d7e
2 changed files with 4 additions and 6 deletions
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7
examples/reax/in.reax.tatb
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@ -8,8 +8,8 @@ read_data data.tatb
# N.B. to match reax/c, set hbnewflag = 1
# 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_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
@ -39,8 +39,7 @@ thermo_style custom step temp epair etotal press v_eb v_ea v_elp v_emol v_ev v_e
timestep 0.0625
dump 1 all custom 25 dump.reax.tatb id type q x y z
dump_modify 1 format "%d %d %8.3f %g %g %g"
dump 1 all custom 100 dump.reax.tatb id type q x y z
fix 2 all reax/bonds 25 bonds.reax.tatb

3
examples/reax/in.reaxc.tatb
View File

@ -38,8 +38,7 @@ thermo_style custom step temp epair etotal press v_eb v_ea v_elp v_emol v_ev v_e
timestep 0.0625
dump 1 all custom 25 dump.reax.tatb id type q x y z
dump_modify 1 format "%d %d %8.3f %g %g %g"
dump 1 all custom 100 dump.reax.tatb id type q x y z
run 25