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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10477 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-07-29 22:32:32 +00:00
parent 936efd215e
commit 883553303e
2 changed files with 4 additions and 6 deletions
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4
src/USER-OMP/pair_tip4p_cut_omp.cpp
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@ -101,7 +101,7 @@ void PairTIP4PCutOMP::compute(int eflag, int vflag)
loop_setup_thr(ifrom, ito, tid, inum, nthreads);
ThrData *thr = fix->get_thr(tid);
thr->timer(ThrData::TIME_START);
thr->timer(Timer::START);
ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
if (evflag) {
@ -114,7 +114,7 @@ void PairTIP4PCutOMP::compute(int eflag, int vflag)
}
} else eval<0,0,0>(ifrom, ito, thr);
thr->timer(ThrData::TIME_PAIR);
thr->timer(Timer::PAIR);
reduce_thr(this, eflag, vflag, thr);
} // end of omp parallel region
}

6
src/USER-OMP/pair_tip4p_long_omp.cpp
View File

@ -101,7 +101,7 @@ void PairTIP4PLongOMP::compute(int eflag, int vflag)
loop_setup_thr(ifrom, ito, tid, inum, nthreads);
ThrData *thr = fix->get_thr(tid);
thr->timer(ThrData::TIME_START);
thr->timer(Timer::START);
ev_setup_thr(eflag, vflag, nall, eatom, vatom, thr);
if (!ncoultablebits) {
@ -126,7 +126,7 @@ void PairTIP4PLongOMP::compute(int eflag, int vflag)
} else eval<0,0,0,0>(ifrom, ito, thr);
}
thr->timer(ThrData::TIME_PAIR);
thr->timer(Timer::PAIR);
reduce_thr(this, eflag, vflag, thr);
} // end of omp parallel region
}
@ -156,9 +156,7 @@ void PairTIP4PLongOMP::eval(int iifrom, int iito, ThrData * const thr)
dbl3_t * _noalias const f = (dbl3_t *) thr->get_f()[0];
const double * _noalias const q = atom->q;
const int * _noalias const type = atom->type;
const int nlocal = atom->nlocal;
const double * _noalias const special_coul = force->special_coul;
const double * _noalias const special_lj = force->special_lj;
const double qqrd2e = force->qqrd2e;
const double cut_coulsqplus = (cut_coul+2.0*qdist) * (cut_coul+2.0*qdist);