From 8b16e051155cc0b85dc12db0869f1ac3362e9343 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 6 Sep 2010 18:03:01 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4707 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- examples/msst/in.msst | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/examples/msst/in.msst b/examples/msst/in.msst index 6fb7ccdea7..03fc08c6bd 100644 --- a/examples/msst/in.msst +++ b/examples/msst/in.msst @@ -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. units metal @@ -26,12 +26,12 @@ pair_coeff 1 1 0.01032 3.405 timestep 2e-3 -# Equilibrate the system. -fix 2 all nve +# Equilibrate the system +fix 2 all nve thermo 10 -run 1000 -unfix 2 +run 100 +unfix 2 # MSST fix 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_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 - -run 6000 +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 100