From 9ed741e90404eb2f240fc4a6f1bd06ca05d0e6b1 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 27 Jul 2015 18:12:18 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13738 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- examples/USER/diffraction/BulkNi.in | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/examples/USER/diffraction/BulkNi.in b/examples/USER/diffraction/BulkNi.in index 1bf71c4daf..a18163175c 100644 --- a/examples/USER/diffraction/BulkNi.in +++ b/examples/USER/diffraction/BulkNi.in @@ -20,12 +20,11 @@ compute XRD all xrd 1.541838 Ni 2Theta 40 80 c 2 2 2 LP 1 echo compute SAED all saed 0.0251 Ni Kmax 0.85 Zone 1 0 0 c 0.025 0.025 0.025 & dR_Ewald 0.05 echo manual -fix 1 all ave/histo 1 1 1 40 80 200 c_XRD[1] weights c_XRD[2] & +fix 1 all ave/histo 1 1 1 40 80 200 c_XRD[1] c_XRD[2] & mode vector file $A.hist.xrd fix 2 all saed/vtk 1 1 1 c_SAED file $A_001.saed - dump 1 all custom 1 $A.dump id x y z run 0