From 6d4575db42d9ddb83ba3b64d0ca60dcc7ee08201 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 13 Aug 2012 19:57:56 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8623 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/USER-CUDA/neighbor_cuda.cpp | 9 +++------ src/USER-CUDA/verlet_cuda.cpp | 3 +-- 2 files changed, 4 insertions(+), 8 deletions(-) diff --git a/src/USER-CUDA/neighbor_cuda.cpp b/src/USER-CUDA/neighbor_cuda.cpp index c976563d73..40e8ff6c05 100644 --- a/src/USER-CUDA/neighbor_cuda.cpp +++ b/src/USER-CUDA/neighbor_cuda.cpp @@ -135,7 +135,7 @@ int NeighborCuda::check_distance() /* ---------------------------------------------------------------------- */ -void NeighborCuda::build(int do_build_bonded) +void NeighborCuda::build(int topoflag) { int i; @@ -231,13 +231,10 @@ void NeighborCuda::build(int do_build_bonded) for(i = 0; i < nblist; i++) (this->*pair_build[blist[i]])(lists[blist[i]]); - if(atom->molecular && do_build_bonded) { - if(force->bond)(this->*bond_build)(); - + if(atom->molecular && topoflag) { + if(force->bond)(this->*bond_bond)(); if(force->angle)(this->*angle_build)(); - if(force->dihedral)(this->*dihedral_build)(); - if(force->improper)(this->*improper_build)(); } } diff --git a/src/USER-CUDA/verlet_cuda.cpp b/src/USER-CUDA/verlet_cuda.cpp index 23a45857d8..ea044611f8 100644 --- a/src/USER-CUDA/verlet_cuda.cpp +++ b/src/USER-CUDA/verlet_cuda.cpp @@ -949,8 +949,7 @@ void VerletCuda::run(int n) timer->stamp(TIME_PAIR); if(neighbor->lastcall == update->ntimestep) { - neighbor->build_bonded(); - + neighbor->build_topology(); timer->stamp(TIME_NEIGHBOR); }