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remove data() and comments

This commit is contained in:
Shiv Upadhyay 2021-03-02 21:52:58 -05:00
parent 24ac65ff00
commit 908c2587d8
1 changed files with 4 additions and 6 deletions
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10
src/QMCWaveFunctions/Fermion/MultiSlaterDeterminantFast.cpp
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@ -194,10 +194,8 @@ WaveFunctionComponent::PsiValueType MultiSlaterDeterminantFast::evaluate_vgl_imp
for (int k = 0, n = Dets[id]->FirstIndex; k < Dets[id]->NumPtcls; k++, n++)
{
g_tmp[n] +=
temp * Dets[id]->grads(spinC, k); //myG[n] += c*grads_spin(spin,k)*(detValues_otherspin[otherspin]...);
l_tmp[n] +=
temp * Dets[id]->lapls(spinC, k); //myL[n] += c*lapls_spin(spin,k)*(detValues_otherspin[otherspin]...);
g_tmp[n] += temp * Dets[id]->grads(spinC, k);
l_tmp[n] += temp * Dets[id]->lapls(spinC, k);
}
}
psi += spin_psi;
@ -285,7 +283,7 @@ WaveFunctionComponent::PsiValueType MultiSlaterDeterminantFast::evalGrad_impl_no
ValueType t = cptr[i];
for (size_t id = 0; id < Dets.size(); id++)
if (id != det_id)
t *= Dets[id]->detValues.data()[(*C2node)[id].data()[i]];
t *= Dets[id]->detValues[(*C2node)[id][i]];
psi += t * detValues0[d0];
g_at += t * grads(d0, iat - noffset);
}
@ -364,7 +362,7 @@ WaveFunctionComponent::PsiValueType MultiSlaterDeterminantFast::ratio_impl_no_pr
ValueType t = cptr[i];
for (size_t id = 0; id < Dets.size(); id++)
if (id != det_id)
t *= Dets[id]->detValues.data()[(*C2node)[id].data()[i]];
t *= Dets[id]->detValues[(*C2node)[id][i]];
t *= detValues0[det0[i]];
psi += t;
}