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add some additional calls into SOVMCUpdate

This commit is contained in:
camelto2 2021-03-02 10:30:52 -07:00
parent ae6fea5dbe
commit 54c407a0dc
1 changed files with 2 additions and 0 deletions
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2
src/QMCDrivers/VMC/SOVMCUpdatePbyP.cpp
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@ -59,6 +59,7 @@ void SOVMCUpdatePbyP::advanceWalker(Walker_t& thisWalker, bool recompute)
RealType tauovermass = Tau * MassInvS[ig];
RealType oneover2tau = 0.5 / (tauovermass);
RealType sqrttau = std::sqrt(tauovermass);
Psi.prepareGroup(W, ig);
for (int iat = W.first(ig); iat < W.last(ig); ++iat)
{
PosType dr;
@ -128,6 +129,7 @@ void SOVMCUpdatePbyP::advanceWalker(Walker_t& thisWalker, bool recompute)
movepbyp_timer_.stop();
buffer_timer_.start();
RealType logpsi = Psi.updateBuffer(W, w_buffer, recompute);
assert(checkLogAndGL(W, Psi));
W.saveWalker(thisWalker);
buffer_timer_.stop();
// end PbyP moves