From c8f4b55588ac299f3dc28b9a60f9810bd445fee2 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 1 Nov 2016 16:48:30 -0400
Subject: [PATCH] avoid uninitialized data for using ewald/disp with lj only

---
 src/KSPACE/ewald_disp.cpp | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/src/KSPACE/ewald_disp.cpp b/src/KSPACE/ewald_disp.cpp
index b9af258ab6..2a4cc4b70c 100644
--- a/src/KSPACE/ewald_disp.cpp
+++ b/src/KSPACE/ewald_disp.cpp
@@ -141,6 +141,7 @@ void EwaldDisp::init()
   init_coeffs();
   init_coeff_sums();
   if (function[0]) qsum_qsq();
+  else qsqsum = qsum = 0.0;
   natoms_original = atom->natoms;
 
   // turn off coulombic if no charge
@@ -152,6 +153,7 @@ void EwaldDisp::init()
   }
 
   double bsbsum = 0.0;
+  M2 = 0.0;
   if (function[1]) bsbsum = sum[1].x2;
   if (function[2]) bsbsum = sum[2].x2;
 
@@ -526,6 +528,7 @@ void EwaldDisp::init_coeff_sums()
   Sum sum_local[EWALD_MAX_NSUMS];
 
   memset(sum_local, 0, EWALD_MAX_NSUMS*sizeof(Sum));
+  memset(sum,       0, EWALD_MAX_NSUMS*sizeof(Sum));
 
   // now perform qsum and qsq via parent qsum_qsq()
 
-- 
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