From 840bc6dc4729a9a70943a77e4ef1f5a99c1df0d4 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 6 Sep 2010 17:47:42 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4705 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- examples/comb/in.comb.Cu | 2 +- examples/comb/in.comb.Cu2O.elastic | 6 +++--- examples/comb/in.comb.HfO2 | 4 ++-- examples/comb/in.comb.Si | 4 ++-- 4 files changed, 8 insertions(+), 8 deletions(-) diff --git a/examples/comb/in.comb.Cu b/examples/comb/in.comb.Cu index fd4751538d..5f72f3781e 100644 --- a/examples/comb/in.comb.Cu +++ b/examples/comb/in.comb.Cu @@ -17,7 +17,7 @@ pair_coeff * * ffield.comb Cu neighbor 0.5 bin neigh_modify every 1 delay 1 check yes -dump 1 all custom 10 tmp.dump id type xs ys zs q vx vy vz fx fy fz +#dump 1 all custom 10 tmp.dump id type xs ys zs q vx vy vz fx fy fz #dump_modify 1 append yes element Cu fix 1 all nve diff --git a/examples/comb/in.comb.Cu2O.elastic b/examples/comb/in.comb.Cu2O.elastic index 6ad16650f1..491c0b9ed5 100644 --- a/examples/comb/in.comb.Cu2O.elastic +++ b/examples/comb/in.comb.Cu2O.elastic @@ -31,8 +31,8 @@ thermo 1 fix 1 all nve fix 2 all qeq/comb 1 0.0001 -dump 1 all cfg 1 *.cfg id type xs ys zs q f_2 vx vy vz fx fy fz -dump_modify 1 element Cu O +#dump 1 all cfg 1 *.cfg id type xs ys zs q f_2 vx vy vz fx fy fz +#dump_modify 1 element Cu O run 2 @@ -47,7 +47,7 @@ run 1 unfix 1 unfix 2 -undump 1 +#undump 1 ### copy lines after this to any input script for elastic calculations ### ## Elastic constants calculations: strain box, measure box stress diff --git a/examples/comb/in.comb.HfO2 b/examples/comb/in.comb.HfO2 index 4f05b4b522..9c6e6ae633 100644 --- a/examples/comb/in.comb.HfO2 +++ b/examples/comb/in.comb.HfO2 @@ -24,8 +24,8 @@ neigh_modify every 10 delay 10 check yes timestep 0.00020 -dump 1 all cfg 10 *.cfg id type xs ys zs q vx vy vz fx fy fz -dump_modify 1 element Hf O +#dump 1 all cfg 10 *.cfg id type xs ys zs q vx vy vz fx fy fz +#dump_modify 1 element Hf O thermo_style custom step temp etotal pe evdwl ecoul press vol lx ly lz xz c_q1 c_q2 thermo_modify norm yes diff --git a/examples/comb/in.comb.Si b/examples/comb/in.comb.Si index 55e0f169b7..1f140d7ae5 100644 --- a/examples/comb/in.comb.Si +++ b/examples/comb/in.comb.Si @@ -17,8 +17,8 @@ pair_coeff * * ffield.comb Si neighbor 0.5 bin neigh_modify every 1 delay 1 check yes -dump 1 all cfg 10 *.cfg id type xs ys zs q vx vy vz fx fy fz -dump_modify 1 append yes element Si +#dump 1 all cfg 10 *.cfg id type xs ys zs q vx vy vz fx fy fz +#dump_modify 1 append yes element Si fix 1 all nve timestep 0.00020