From 2c4b866f62fcb54478405a3f4c7746e2eb8c99d2 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 3 Jul 2009 21:53:44 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2990 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/compute_heat_flux.html | 7 ++++--- doc/compute_heat_flux.txt | 8 ++++---- 2 files changed, 8 insertions(+), 7 deletions(-) diff --git a/doc/compute_heat_flux.html b/doc/compute_heat_flux.html index 0aba099015..4ff33e6018 100644 --- a/doc/compute_heat_flux.html +++ b/doc/compute_heat_flux.html @@ -142,10 +142,11 @@ run 8000
# -------------- Flux calculation in nve --------------- 
 
-
reset_timestep 0
-compute 	flux all heat_flux
+
reset_timestep  0
+compute	        myPE all pe/atom pair
+compute 	flux all heat_flux myPE
 log     	flux.log
-variable        J  equal c_flux1/vol
+variable        J equal c_flux[1]/vol
 thermo_style 	custom step temp v_J 
 run 	        100000 
 
diff --git a/doc/compute_heat_flux.txt b/doc/compute_heat_flux.txt index 8cc8ca9fab..c906740011 100644 --- a/doc/compute_heat_flux.txt +++ b/doc/compute_heat_flux.txt @@ -139,10 +139,10 @@ run 8000 :pre # -------------- Flux calculation in nve --------------- :pre -reset_timestep 0 -compute flux all heat_flux +reset_timestep 0 +compute myPE all pe/atom pair +compute flux all heat_flux myPE log flux.log -variable J equal c_flux[1]/vol +variable J equal c_flux\[1\]/vol thermo_style custom step temp v_J run 100000 :pre -