From b58e008caeafaf5c0055e8580c351d38d27a4269 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 27 Jun 2016 22:19:57 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15217 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/neigh_gran.cpp | 3 +++ src/pair_coul_wolf.cpp | 5 ++++- 2 files changed, 7 insertions(+), 1 deletion(-) diff --git a/src/neigh_gran.cpp b/src/neigh_gran.cpp index 0475a52278..3549212c51 100644 --- a/src/neigh_gran.cpp +++ b/src/neigh_gran.cpp @@ -162,6 +162,7 @@ void Neighbor::granular_nsq_no_newton(NeighList *list) /* ---------------------------------------------------------------------- granular particles N^2 / 2 search for neighbor pairs with full Newton's 3rd law + shear history must be accounted for when a neighbor pair is added pair added to list if atoms i and j are both owned and i < j if j is ghost only me or other proc adds pair decision based on itag,jtag tests @@ -468,6 +469,7 @@ void Neighbor::granular_bin_no_newton(NeighList *list) /* ---------------------------------------------------------------------- granular particles binned neighbor list construction with full Newton's 3rd law + shear history must be accounted for when a neighbor pair is added each owned atom i checks its own bin and other bins in Newton stencil every pair stored exactly once by some processor ------------------------------------------------------------------------- */ @@ -664,6 +666,7 @@ void Neighbor::granular_bin_newton(NeighList *list) /* ---------------------------------------------------------------------- granular particles binned neighbor list construction with Newton's 3rd law for triclinic + shear history must be accounted for when a neighbor pair is added each owned atom i checks its own bin and other bins in triclinic stencil every pair stored exactly once by some processor ------------------------------------------------------------------------- */ diff --git a/src/pair_coul_wolf.cpp b/src/pair_coul_wolf.cpp index b85bf0a10d..320eed3e9f 100644 --- a/src/pair_coul_wolf.cpp +++ b/src/pair_coul_wolf.cpp @@ -34,7 +34,10 @@ using namespace MathConst; /* ---------------------------------------------------------------------- */ -PairCoulWolf::PairCoulWolf(LAMMPS *lmp) : Pair(lmp) {} +PairCoulWolf::PairCoulWolf(LAMMPS *lmp) : Pair(lmp) +{ + single_enable = 0; // NOTE: single() method below is not yet correct +} /* ---------------------------------------------------------------------- */