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Enable complex coefficients for SelfHealingOverlap estimator #5291
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Original file line number | Diff line number | Diff line change |
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@@ -24,6 +24,7 @@ | |
#include "Concurrency/Info.hpp" | ||
#include "type_traits/ConvertToReal.h" | ||
#include "NaNguard.h" | ||
#include "Fermion/SlaterDet.h" | ||
#include "Fermion/MultiSlaterDetTableMethod.h" | ||
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namespace qmcplusplus | ||
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@@ -107,6 +108,15 @@ const SPOSet& TrialWaveFunction::getSPOSet(const std::string& name) const | |
return *spoit->second; | ||
} | ||
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RefVector<SlaterDet> TrialWaveFunction::findSD() const | ||
{ | ||
RefVector<SlaterDet> refs; | ||
for (auto& component : Z) | ||
if (auto* comp_ptr = dynamic_cast<SlaterDet*>(component.get()); comp_ptr) | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. findSD is seems too brief, this is now part of the public API and it would be nice if it was recognizable as what it is from that. Imagine I want to search the codebase for SlaterDet definitions
SD is not a character combination of much specificity. This smells a bit, dynamic_casts aren't zero cost There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. Don't worry about that. I'd like to addressed it separately. |
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refs.push_back(*comp_ptr); | ||
return refs; | ||
} | ||
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RefVector<MultiSlaterDetTableMethod> TrialWaveFunction::findMSD() const | ||
{ | ||
RefVector<MultiSlaterDetTableMethod> refs; | ||
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Per Coding specification &&, || etc. only
https://qmcpack.readthedocs.io/en/develop/developing.html#alternative-operator-representations