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Merge pull request #8 from ibaned/pair-multi-lucy-rx-kokkos-rho

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fix race condition on rho, thanks @ibaned
This commit is contained in:
Stan Moore
2017-01-10 15:25:21 -07:00
committed by GitHub
parent 001964ecd8 d26f1403cd
commit 98c66089a9
1 changed files with 4 additions and 4 deletions
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8
src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp
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@ -526,7 +526,7 @@ void PairMultiLucyRXKokkos<DeviceType>::operator()(TagPairMultiLucyRXComputeLoca
const double ytmp = x(i,1);
const double ztmp = x(i,2);
double rho_i = rho[i];
double rho_i_contrib = 0.0;
const int itype = type[i];
const int jnum = d_numneigh[i];
@ -549,7 +549,7 @@ void PairMultiLucyRXKokkos<DeviceType>::operator()(TagPairMultiLucyRXComputeLoca
const double tmpFactor = 1.0 - r_over_rcut;
const double tmpFactor4 = tmpFactor*tmpFactor*tmpFactor*tmpFactor;
const double factor = factor_type11*(1.0 + 1.5*r_over_rcut)*tmpFactor4;
rho_i += factor;
rho_i_contrib += factor;
if (NEWTON_PAIR || j < nlocal)
a_rho[j] += factor;
} else if (rsq < d_cutsq(itype,jtype)) {
@ -557,14 +557,14 @@ void PairMultiLucyRXKokkos<DeviceType>::operator()(TagPairMultiLucyRXComputeLoca
const double tmpFactor = 1.0-sqrt(rsq)/rcut;
const double tmpFactor4 = tmpFactor*tmpFactor*tmpFactor*tmpFactor;
const double factor = (84.0/(5.0*pi*rcut*rcut*rcut))*(1.0+3.0*sqrt(rsq)/(2.0*rcut))*tmpFactor4;
rho_i += factor;
rho_i_contrib += factor;
if (NEWTON_PAIR || j < nlocal)
a_rho[j] += factor;
}
}
}
a_rho[i] = rho_i;
a_rho[i] += rho_i_contrib;
}
/* ---------------------------------------------------------------------- */