From ad6b37d6884934e704b41a14fb11c5148a47c029 Mon Sep 17 00:00:00 2001
From: abhishandy <abhishek.sandy@gmail.com>
Date: Mon, 3 Aug 2020 08:00:41 -0400
Subject: [PATCH] bug in forcelj of gauss_omp

---
 src/USER-OMP/pair_gauss_omp.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/USER-OMP/pair_gauss_omp.cpp b/src/USER-OMP/pair_gauss_omp.cpp
index 106d520fa1..59c864afda 100644
--- a/src/USER-OMP/pair_gauss_omp.cpp
+++ b/src/USER-OMP/pair_gauss_omp.cpp
@@ -130,7 +130,7 @@ double PairGaussOMP::eval(int iifrom, int iito, ThrData * const thr)
 
       if (rsq < cutsq[itype][jtype]) {
         r2inv = 1.0/rsq;
-        forcelj = - 2.0*a[itype][jtype]*b[itype][jtype] * rsq *
+        forcelj = - 2.0*a[itype][jtype]*b[itype][jtype] * sqrt(rsq) *
           exp(-b[itype][jtype]*rsq);
         fpair = factor_lj*forcelj*r2inv;