fix warnings.

QMCPACK · Dec 2, 2024 · 05dabf0 · 05dabf0
1 parent c2e8bd0
commit 05dabf0
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Showing 2 changed files with 20 additions and 5 deletions.
diff --git a/src/Estimators/StructureFactorEstimator.cpp b/src/Estimators/StructureFactorEstimator.cpp
@@ -26,9 +26,9 @@ StructureFactorEstimator::StructureFactorEstimator(StructureFactorInput& sfi,
   elec_species_ = elns_.getSpeciesSet().getTotalNum();
   ion_species_  = ions_.getSpeciesSet().getTotalNum();
 
-  num_kpoints_ = pset_ions.getSimulationCell().getKLists().numk;
-  kshell_offsets_   = pset_ions.getSimulationCell().getKLists().kshell;
-  int max_kshell    = kshell_offsets_.size() - 1;
+  num_kpoints_    = pset_ions.getSimulationCell().getKLists().numk;
+  kshell_offsets_ = pset_ions.getSimulationCell().getKLists().kshell;
+  int max_kshell  = kshell_offsets_.size() - 1;
 
   rhok_tot_r_.resize(num_kpoints_);
   rhok_tot_i_.resize(num_kpoints_);
@@ -49,6 +49,12 @@ StructureFactorEstimator::StructureFactorEstimator(StructureFactorInput& sfi,
   };
 }
 
+StructureFactorEstimator::StructureFactorEstimator(const StructureFactorEstimator& sfe, DataLocality dl)
+    : qmcplusplus::StructureFactorEstimator(sfe)
+{
+  data_locality_ = dl;
+}
+
 void StructureFactorEstimator::accumulate(const RefVector<MCPWalker>& walkers,
                                           const RefVector<ParticleSet>& psets,
                                           const RefVector<TrialWaveFunction>& wfns,
@@ -109,6 +115,10 @@ void StructureFactorEstimator::collect(const RefVector<OperatorEstBase>& type_er
 
 void StructureFactorEstimator::startBlock(int steps) {}
 
-UPtr<OperatorEstBase> StructureFactorEstimator::spawnCrowdClone() const {}
+UPtr<OperatorEstBase> StructureFactorEstimator::spawnCrowdClone() const
+{
+  UPtr<StructureFactorEstimator> spawn(std::make_unique<StructureFactorEstimator>(*this, data_locality_));
+  return spawn;
+}
 
 } // namespace qmcplusplus
diff --git a/src/Estimators/StructureFactorEstimator.h b/src/Estimators/StructureFactorEstimator.h
@@ -36,6 +36,8 @@ class StructureFactorEstimator : public OperatorEstBase
                            ParticleSet& pset_elec,
                            DataLocality data_locality = DataLocality::crowd);
 
+  StructureFactorEstimator(const StructureFactorEstimator& sfe, DataLocality dl);
+
   /** accumulate 1 or more walkers of EnergyDensity samples
    */
   void accumulate(const RefVector<MCPWalker>& walkers,
@@ -51,16 +53,19 @@ class StructureFactorEstimator : public OperatorEstBase
   UPtr<OperatorEstBase> spawnCrowdClone() const override;
 
   void registerOperatorEstimator(hdf_archive& file) override;
-  void write(hdf_archive& file);
+  void write(hdf_archive& file) override;
   void collect(const RefVector<OperatorEstBase>& type_erased_operator_estimators) override;
 
   long long getNumKPoints() { return num_kpoints_; }
+
 protected:
   // Testing functions
   const Vector<Real>& getSKElecElec() const { return sfk_e_e_; }
   const Vector<std::complex<Real>>& getRhoKElec() const { return rhok_e_; }
 
 private:
+  StructureFactorEstimator(const StructureFactorEstimator& obdm) = default;
+
   int elec_species_;
   ParticleSet& elns_;
   int ion_species_;