From 80b044e875e1f44d3a7da4870abe172c35db1f0a Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Thu, 16 Feb 2012 16:15:09 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7805
 f3b2605a-c512-4ea7-a41b-209d697bcdaa

---
 src/KSPACE/ewald.cpp | 7 +++++++
 src/KSPACE/pppm.cpp  | 7 +++++++
 2 files changed, 14 insertions(+)

diff --git a/src/KSPACE/ewald.cpp b/src/KSPACE/ewald.cpp
index 731509970a..106ab6961f 100644
--- a/src/KSPACE/ewald.cpp
+++ b/src/KSPACE/ewald.cpp
@@ -855,6 +855,13 @@ void Ewald::slabcorr()
   const double qscale = force->qqrd2e * scale;
   
   if (eflag_global) energy += qscale * e_slabcorr;
+  
+  // per-atom energy
+    
+  if (eflag_atom) {
+    double efact = 2.0*MY_PI*dipole_all/volume; 
+    for (int i = 0; i < nlocal; i++) eatom[i] += qscale * q[i]*x[i][2]*efact;
+  }
 
   // add on force corrections
 
diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp
index 8cd30a76e1..3f640e3456 100644
--- a/src/KSPACE/pppm.cpp
+++ b/src/KSPACE/pppm.cpp
@@ -2445,6 +2445,13 @@ void PPPM::slabcorr()
   
   if (eflag_global) energy += qscale * e_slabcorr;
 
+  // per-atom energy
+    
+  if (eflag_atom) {
+    double efact = 2.0*MY_PI*dipole_all/volume; 
+    for (int i = 0; i < nlocal; i++) eatom[i] += qscale * q[i]*x[i][2]*efact;
+  }
+
   // add on force corrections
 
   double ffact = -4.0*MY_PI*dipole_all/volume;