Remove use of myVars in SlaterDet. Existing code doesn't do anything.

amandadumi · Nov 25, 2024 · b534b21 · b534b21
1 parent 802b0e9
commit b534b21
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diff --git a/src/QMCWaveFunctions/Fermion/SlaterDet.cpp b/src/QMCWaveFunctions/Fermion/SlaterDet.cpp
@@ -52,14 +52,9 @@ void SlaterDet::extractOptimizableObjectRefs(UniqueOptObjRefs& opt_obj_refs)
 
 void SlaterDet::checkOutVariables(const opt_variables_type& active)
 {
-  myVars.clear();
   if (isOptimizable())
     for (int i = 0; i < Dets.size(); i++)
-    {
       Dets[i]->checkOutVariables(active);
-      myVars.insertFrom(Dets[i]->myVars);
-    }
-  myVars.getIndex(active);
 }
 
 PsiValue SlaterDet::ratioGrad(ParticleSet& P, int iat, GradType& grad_iat)

diff --git a/src/QMCWaveFunctions/Fermion/SlaterDet.h b/src/QMCWaveFunctions/Fermion/SlaterDet.h
@@ -265,31 +265,13 @@ class SlaterDet : public WaveFunctionComponent
                            Vector<ValueType>& dlogpsi,
                            Vector<ValueType>& dhpsioverpsi) override
   {
-    // First zero out values, since each determinant only adds on
-    // its contribution (i.e. +=) , rather than setting the value
-    // (i.e. =)
-    for (int k = 0; k < myVars.size(); ++k)
-    {
-      int kk = myVars.where(k);
-      if (kk >= 0)
-        dlogpsi[kk] = dhpsioverpsi[kk] = 0.0;
-    }
     // Now add on contribution from each determinant to the derivatives
     for (int i = 0; i < Dets.size(); i++)
       Dets[i]->evaluateDerivatives(P, active, dlogpsi, dhpsioverpsi);
   }
 
   void evaluateDerivativesWF(ParticleSet& P, const opt_variables_type& active, Vector<ValueType>& dlogpsi) override
   {
-    // First zero out values, since each determinant only adds on
-    // its contribution (i.e. +=) , rather than setting the value
-    // (i.e. =)
-    for (int k = 0; k < myVars.size(); ++k)
-    {
-      int kk = myVars.where(k);
-      if (kk >= 0)
-        dlogpsi[kk] = 0.0;
-    }
     // Now add on contribution from each determinant to the derivatives
     for (int i = 0; i < Dets.size(); i++)
       Dets[i]->evaluateDerivativesWF(P, active, dlogpsi);