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Merge branch 'remove-ParticleBase' of https://xgitlab.cels.anl.gov/QMCPACK/qmcpack-dev into remove-ParticleBase

This commit is contained in:
jnkim 2017-10-01 09:38:51 -07:00
parent 6d4d0b33c3 f87b09606e
commit cc92aea812
1 changed files with 3 additions and 3 deletions
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6
src/QMCWaveFunctions/OptimizableSPOSet.cpp
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@ -569,7 +569,7 @@ OptimizableSPOSet::evaluate_notranspose
for (int iorb=0; iorb<N; iorb++)
{
logdet(iel,iorb) = GSValMatrix(iel,iorb);
const auto restrict cptr=(*C)[iorb];
const ValueType *restrict cptr=(*C)[iorb];
for (int ibasis=0; ibasis<M; ibasis++)
logdet(iel,iorb) += cptr[ibasis]*GSValMatrix(iel,N+ibasis);
}
@ -579,7 +579,7 @@ OptimizableSPOSet::evaluate_notranspose
for (int iel=0; iel<N; iel++)
for (int iorb=0; iorb<N; iorb++)
{
const auto restrict cptr=(*C)[iorb];
const ValueType *restrict cptr=(*C)[iorb];
d2logdet(iel,iorb) = GSLaplMatrix(iel,iorb);
for (int ibasis=0; ibasis<M; ibasis++)
d2logdet(iel,iorb) += cptr[ibasis]*GSLaplMatrix(iel,N+ibasis);
@ -589,7 +589,7 @@ OptimizableSPOSet::evaluate_notranspose
for (int i=0; i<N; i++)
for (int iorb=0; iorb<N; iorb++)
{
const auto restrict cptr=(*C)[iorb];
const ValueType *restrict cptr=(*C)[iorb];
dlogdet(i,iorb) = GSGradMatrix(i,iorb);
for (int n=0; n<M; n++)
dlogdet(i,iorb) += cptr[n]* GSGradMatrix(i,N+n);