From a68f3a93e53a99ddfc8ffe371cf84f3ed31a613c Mon Sep 17 00:00:00 2001 From: Tim Mattox Date: Sun, 19 Mar 2017 21:12:52 -0400 Subject: [PATCH] USER-DPD Kokkos: bugfix, add a misisng line of code in pair_exp6_rx_kokkos.cpp --- src/KOKKOS/pair_exp6_rx_kokkos.cpp | 1 + 1 file changed, 1 insertion(+) diff --git a/src/KOKKOS/pair_exp6_rx_kokkos.cpp b/src/KOKKOS/pair_exp6_rx_kokkos.cpp index abc158d72c..23fb4f59e5 100644 --- a/src/KOKKOS/pair_exp6_rx_kokkos.cpp +++ b/src/KOKKOS/pair_exp6_rx_kokkos.cpp @@ -917,6 +917,7 @@ void PairExp6rxKokkos::getMixingWeights(int id,double &epsilon1,doub nMoleculesOld2 = dvector(ispecies+nspecies,id); nMolecules2 = dvector(ispecies,id); fractionOld2 = dvector(ispecies+nspecies,id)/nTotalold; + fraction2 = nMolecules2/nTotal; } // If Site1 or Site2 matches is a fluid, then compute the paramters