From 8c04540e8a481abd05d9979196053163b7d9e03e Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 25 Jul 2016 19:55:01 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15368 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/QEQ/fix_qeq.cpp | 3 ++- src/USER-REAXC/fix_qeq_reax.cpp | 3 ++- 2 files changed, 4 insertions(+), 2 deletions(-) diff --git a/src/QEQ/fix_qeq.cpp b/src/QEQ/fix_qeq.cpp index bc044ebae4..3c6b1530fa 100644 --- a/src/QEQ/fix_qeq.cpp +++ b/src/QEQ/fix_qeq.cpp @@ -282,7 +282,8 @@ void FixQEq::setup_pre_force(int vflag) if (force->newton_pair == 0) error->all(FLERR,"QEQ with 'newton pair off' not supported"); - neighbor->build_one(list); + // should not be needed + // neighbor->build_one(list); deallocate_storage(); allocate_storage(); diff --git a/src/USER-REAXC/fix_qeq_reax.cpp b/src/USER-REAXC/fix_qeq_reax.cpp index 6a41bd2b5e..5fa0ef6d79 100644 --- a/src/USER-REAXC/fix_qeq_reax.cpp +++ b/src/USER-REAXC/fix_qeq_reax.cpp @@ -416,7 +416,8 @@ void FixQEqReax::init_taper() void FixQEqReax::setup_pre_force(int vflag) { - neighbor->build_one(list); + // should not be needed + // neighbor->build_one(list); deallocate_storage(); allocate_storage();