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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8623 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-08-13 19:57:56 +00:00
parent 40061ab6b8
commit 6d4575db42
2 changed files with 4 additions and 8 deletions
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9
src/USER-CUDA/neighbor_cuda.cpp
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@ -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)();
}
}

3
src/USER-CUDA/verlet_cuda.cpp
View File

@ -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);
}