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Enable complex coefficients for SelfHealingOverlap estimator #5291

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merged 11 commits into from
Jan 31, 2025
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add guards
jtkrogel committed Jan 28, 2025
commit 81e644eccc95094e39e842ff62354fb84160554e
3 changes: 3 additions & 0 deletions src/Estimators/SelfHealingOverlap.cpp
Original file line number Diff line number Diff line change
@@ -128,13 +128,16 @@ void SelfHealingOverlap::accumulate(const RefVector<MCPWalker>& walkers,
else
{
const auto& vars = *msd.myVars;
assert(vars.size()>0);
msd.evaluateDerivativesWF(pset,vars,det_ratios);
}
}
else if(wf_type==sd_rot_wf)
{
auto sd_refvec = psi.findSD();
SlaterDet& sd = sd_refvec[0];
if(sd.myVars.size()==0)
throw std::runtime_error("SelfHealingOverlap: in accumulate, slaterdet has no parameters");
// collect parameter derivatives: (dpsi/dc_i)/psi
sd.evaluateDerivativesWF(pset,sd.myVars,det_ratios);
}