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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4707 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-09-06 18:03:01 +00:00
parent 11933ef8fb
commit 8b16e05115
1 changed files with 8 additions and 8 deletions
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16
examples/msst/in.msst
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@ -1,4 +1,4 @@
# lj test of msst shock dynamics. # LJ test of msst shock dynamics
# Energy in eV, time in ps, distance in angstroms. # Energy in eV, time in ps, distance in angstroms.
units metal units metal
@ -26,12 +26,12 @@ pair_coeff 1 1 0.01032 3.405
timestep 2e-3 timestep 2e-3
# Equilibrate the system. # Equilibrate the system
fix 2 all nve fix 2 all nve
thermo 10 thermo 10
run 1000 run 100
unfix 2 unfix 2
# MSST fix # MSST fix
fix msst all msst z 28.0 q 200 mu 3e2 tscale 0.01 fix msst all msst z 28.0 q 200 mu 3e2 tscale 0.01
@ -44,7 +44,7 @@ variable dray equal f_msst[2]
variable lgr_vel equal f_msst[3] variable lgr_vel equal f_msst[3]
variable lgr_pos equal f_msst[4] variable lgr_pos equal f_msst[4]
thermo_style custom step temp ke pe lx ly lz pxx pyy pzz etotal v_dhug v_dray v_lgr_vel v_lgr_pos f_msst thermo_style custom step temp ke pe lx ly lz pxx pyy pzz etotal &
v_dhug v_dray v_lgr_vel v_lgr_pos f_msst
run 6000
run 100