Commit 9e542061 by Francois Gygi

Modified output: print MSD value only, not step index

git-svn-id: cba15fb0-1239-40c8-b417-11db7ca47a34
parent b550b87c
......@@ -53,7 +53,7 @@ class QboxOutputHandler(xml.sax.handler.ContentHandler):
dy = self.tau[i][1]-self.tau0[i][1]
dz = self.tau[i][2]-self.tau0[i][2]
disp2sum += dx*dx + dy*dy + dz*dz
print self.step,'%12.6f'%(disp2sum/len(self.tau))
print '%12.6f'%(disp2sum/len(self.tau))
self.step += 1
print "# ",species
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