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Added example of nphug

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6920 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps
2011-09-02 02:45:31 +00:00
parent 1f4bb3fb47
commit 2d099c8e7c
3 changed files with 10 additions and 3 deletions
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4
examples/prd/in.prd
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@ -3,6 +3,8 @@
# run this on multiple partitions as # run this on multiple partitions as
# mpirun -np 4 lmp_g++ -partition 4x1 -in in.prd # mpirun -np 4 lmp_g++ -partition 4x1 -in in.prd
#log none
units metal units metal
atom_style atomic atom_style atomic
@ -72,7 +74,7 @@ neigh_modify every 1 delay 10 check yes
# equilibrate # equilibrate
run 1000 run 100
# only output atoms near vacancy # only output atoms near vacancy

7
examples/reax/in.reax.rdx
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@ -32,11 +32,14 @@ neigh_modify every 10 delay 0 check no
fix 1 all nve fix 1 all nve
thermo 10 thermo 1
thermo_style custom step temp epair etotal press v_eb v_ea v_elp v_emol v_ev v_epen v_ecoa v_ehb v_et v_eco v_ew v_ep v_efi v_eqeq thermo_style custom step temp epair etotal press v_eb v_ea v_elp v_emol v_ev v_epen v_ecoa v_ehb v_et v_eco v_ew v_ep v_efi v_eqeq
timestep 1.0 timestep 1.0
dump 1 all atom 10 dump.reax.rdx #dump 1 all atom 10 dump.reax.rdx
dump 1 all custom 1 dump.reax.rdx id type q xs ys zs
reset_timestep 1000
run 100 run 100

2
examples/reax/in.reaxc.tatb
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@ -40,5 +40,7 @@ timestep 0.0625
dump 1 all custom 100 dump.reax.tatb id type q x y z dump 1 all custom 100 dump.reax.tatb id type q x y z
reset_timestep 1000
run 25 run 25