Rename input tag.

QMCPACK · Aug 11, 2022 · 2d2769c · 2d2769c
1 parent ac60b23
commit 2d2769c
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Showing 5 changed files with 7 additions and 7 deletions.
diff --git a/src/QMCDrivers/WFOpt/QMCCostFunctionBase.cpp b/src/QMCDrivers/WFOpt/QMCCostFunctionBase.cpp
@@ -360,8 +360,8 @@ bool QMCCostFunctionBase::put(xmlNodePtr q)
       putContent(tmpid, cur);
       idtag.insert(idtag.end(), tmpid.begin(), tmpid.end());
     }
-    else if (cname == "optimize_objects")
-      putContent(optimized_object_names, cur);
+    else if (cname == "variational_subset")
+      putContent(variational_subset_names, cur);
     else if (cname == "exclude")
     {
       std::vector<std::string> tmpid;
@@ -1062,7 +1062,7 @@ bool QMCCostFunctionBase::isEffectiveWeightValid(EffectiveWeight effective_weigh
 
 UniqueOptObjRefs QMCCostFunctionBase::extractOptimizableObjects(TrialWaveFunction& psi) const
 {
-  const auto& names(optimized_object_names);
+  const auto& names(variational_subset_names);
   /// survey all the optimizable objects
   const auto opt_obj_refs = psi.extractOptimizableObjectRefs();
   for (OptimizableObject& obj : opt_obj_refs)

diff --git a/src/QMCDrivers/WFOpt/QMCCostFunctionBase.h b/src/QMCDrivers/WFOpt/QMCCostFunctionBase.h
@@ -279,7 +279,7 @@ class QMCCostFunctionBase : public CostFunctionBase<QMCTraits::RealType>, public
   std::string includeNonlocalH;
 
   /// optimized parameter names
-  std::vector<std::string> optimized_object_names;
+  std::vector<std::string> variational_subset_names;
 
   /** Sum of energies and weights for averages
    *

diff --git a/src/QMCWaveFunctions/Fermion/MultiSlaterDetTableMethod.cpp b/src/QMCWaveFunctions/Fermion/MultiSlaterDetTableMethod.cpp
@@ -23,7 +23,7 @@ namespace qmcplusplus
 MultiSlaterDetTableMethod::MultiSlaterDetTableMethod(ParticleSet& targetPtcl,
                                                      std::vector<std::unique_ptr<MultiDiracDeterminant>>&& dets,
                                                      bool use_pre_computing)
-    : OptimizableObject("multidet_coefs"),
+    : OptimizableObject("CI"),
       RatioTimer(*timer_manager.createTimer(getClassName() + "::ratio")),
       offload_timer(*timer_manager.createTimer(getClassName() + "::offload")),
       EvalGradTimer(*timer_manager.createTimer(getClassName() + "::evalGrad")),

diff --git a/tests/molecules/H4_ae/optm-OneShiftOnly-onlyjas.xml b/tests/molecules/H4_ae/optm-OneShiftOnly-onlyjas.xml
@@ -27,7 +27,7 @@
     <estimator name="LocalEnergy" hdf5="no"/>
     <parameter name="nonlocalpp"> yes </parameter>
     <parameter name="MinMethod">OneShiftOnly</parameter>
-    <optimize_objects> eH uu ud </optimize_objects>
+    <variational_subset> eH uu ud </variational_subset>
   </qmc>
 </loop>
 

diff --git a/tests/molecules/H4_ae/optm-OneShiftOnly-onlymsd.xml b/tests/molecules/H4_ae/optm-OneShiftOnly-onlymsd.xml
@@ -27,7 +27,7 @@
     <estimator name="LocalEnergy" hdf5="no"/>
     <parameter name="nonlocalpp"> yes </parameter>
     <parameter name="MinMethod">OneShiftOnly</parameter>
-    <optimize_objects> multidet_coefs </optimize_objects>
+    <variational_subset> CI </variational_subset>
   </qmc>
 </loop>