Remove non-functional QMCPACK inputs

src/Estimators/OneBodyDensityMatricesInput.cpp

@@ -27,12 +27,9 @@ OneBodyDensityMatricesInput::OneBodyDensityMatricesInput(xmlNodePtr cur)
   input_section_.readXML(cur);
   auto setIfInInput = LAMBDA_setIfInInput;
   setIfInInput(name_, "name");
-  setIfInInput(energy_matrix_, "energy_matrix");
   setIfInInput(use_drift_, "use_drift");
   setIfInInput(normalized_, "normalized");
-  setIfInInput(volume_normalized_, "volume_normalized");
-  setIfInInput(check_overlap_, "check_overlap");
-  setIfInInput(check_derivatives_, "check_derivatives");
+  setIfInInput(volume_normalized_, "volume_normed");
   setIfInInput(rstats_, "rstats");
   setIfInInput(write_acceptance_ratio_, "acceptance_ratio");
   setIfInInput(integrator_, "integrator");

src/Estimators/OneBodyDensityMatricesInput.h

@@ -73,12 +73,10 @@ class OneBodyDensityMatricesInput
       // clang-format off
       section_name  = "OneBodyDensityMatrices";
       attributes    = {"name"};
-      parameters    = {"basis", "energy_matrix", "integrator", "evaluator", "scale",
+      parameters    = {"basis", "integrator", "evaluator", "scale",
                        "corner", "center", "points", "samples", "warmup", "timestep",
-                       "use_drift", "check_overlap", "check_derivatives", "acceptance_ratio", "rstats",
-                       "normalized", "volumed_normed"};
-      bools         = {"energy_matrix", "use_drift", "normalized", "volume_normed",
-                       "check_overlap", "check_derivatives", "rstats", "acceptance_ratio"};
+                       "use_drift", "acceptance_ratio", "rstats", "normalized", "volume_normed"};
+      bools         = {"use_drift", "normalized", "volume_normed", "rstats", "acceptance_ratio"};
       enums         = {"integrator", "evaluator"};
       strings       = {"name"};
       multi_strings = {"basis"};
@@ -108,12 +106,9 @@ class OneBodyDensityMatricesInput
   OneBodyDensityMatricesInputSection input_section_;
 
   // Default parameters for OneBodyDensityMatrices
-  bool energy_matrix_          = false;
   bool use_drift_              = false;
   bool normalized_             = true;
   bool volume_normalized_      = true;
-  bool check_overlap_          = false;
-  bool check_derivatives_      = false;
   bool rstats_                 = false;
   bool write_acceptance_ratio_ = false;
   /// This flag is derived from input so if you construct an OBDMI directly with center it must be set.
@@ -134,12 +129,9 @@ class OneBodyDensityMatricesInput
 
 public:
   const std::string& get_name() const { return name_; }
-  bool get_energy_matrix() const { return energy_matrix_; }
   bool get_use_drift() const { return use_drift_; }
   bool get_normalized() const { return normalized_; }
   bool get_volume_normalized() const { return volume_normalized_; }
-  bool get_check_overlap() const { return check_overlap_; }
-  bool get_check_derivatives() const { return check_derivatives_; }
   bool get_rstats() const { return rstats_; }
   bool get_write_acceptance_ratio() const { return write_acceptance_ratio_; }
   Integrator get_integrator() const { return integrator_; }

src/Estimators/PairCorrelationInput.cpp

@@ -23,7 +23,6 @@ PairCorrelationInput::PairCorrelationInput(xmlNodePtr cur)
   explicit_set_nbins_ = setIfInInput(nbins_, "num_bin");
   explicit_set_rmax_  = setIfInInput(rmax_, "rmax");
   explicit_set_delta_ = setIfInInput(delta_, "dr");
-  setIfInInput(debug_, "debug");
   setIfInInput(sources_, "sources");
 }
 

src/Estimators/PairCorrelationInput.h

@@ -32,12 +32,11 @@ class PairCorrelationInput
     {
       section_name            = type_tag;
       section_name_alternates = {"gofr"};
-      attributes              = {"name", "num_bin", "rmax", "dr", "debug", "sources"};
+      attributes              = {"name", "num_bin", "rmax", "dr", "sources"};
       strings                 = {"name"};
       multi_strings           = {"sources"};
       reals                   = {"dr", "rmax"};
       integers                = {"num_bin"};
-      bools                   = {"debug"};
     }
   };
 
@@ -54,15 +53,13 @@ class PairCorrelationInput
   bool explicit_set_delta_{false};
   int nbins_{20};
   bool explicit_set_nbins_{false};
-  bool debug_{false};
 
 public:
   std::string get_name() const { return name_; }
   const std::vector<std::string>& get_sources() const { return sources_; }
   Real get_rmax() const { return rmax_; }
   Real get_delta() const { return delta_; }
   int get_nbins() const { return nbins_; }
-  bool get_debug() const { return debug_; }
   bool get_explicit_set_rmax() const { return explicit_set_rmax_; }
   bool get_explicit_set_delta() const { return explicit_set_delta_; };
   bool get_explicit_set_nbins() const { return explicit_set_nbins_; };

src/Estimators/PerParticleHamiltonianLoggerInput.h

@@ -33,8 +33,8 @@ class PerParticleHamiltonianLoggerInput
     PerParticleHamiltonianLoggerInputSection()
     {
       section_name = type_tag;
-      attributes   = {"to_stdout", "validate_per_particle_sum", "name"};
-      bools        = {"to_stdout", "validate_per_particle_sum"};
+      attributes   = {"to_stdout", "name"};
+      bools        = {"to_stdout"};
       strings      = {"name"};
     }
     PerParticleHamiltonianLoggerInputSection(const PerParticleHamiltonianLoggerInputSection& other) = default;

src/Estimators/SpinDensityInput.cpp

@@ -24,7 +24,6 @@ SpinDensityInput::SpinDensityInput(xmlNodePtr cur)
 
   setIfInInput(name_, "name");
   setIfInInput(write_report_, "report");
-  setIfInInput(save_memory_, "save_memory");
   have_dr_     = setIfInInput(dr_, "dr");
   have_corner_ = setIfInInput(corner_, "corner");
   have_center_ = setIfInInput(center_, "center");

src/Estimators/SpinDensityInput.h

@@ -45,10 +45,10 @@ class SpinDensityInput
     {
       // clang-format off
       section_name = type_tag;
-      attributes   = {"name", "report", "save_memory"};
+      attributes   = {"name", "report"};
       parameters   = {"dr", "grid", "corner", "center", "cell"};
       strings      = {"name"};
-      bools        = {"report", "save_memory"};
+      bools        = {"report"};
       positions    = {"dr", "grid", "corner", "center"};
       multi_reals  = {"cell"};
       // clang-format on
@@ -67,7 +67,6 @@ class SpinDensityInput
   TinyVector<int, DIM> get_grid() const { return grid_; }
   int get_npoints() const { return npoints_; }
   bool get_write_report() const { return write_report_; }
-  bool get_save_memory() const { return save_memory_; }
   const std::string& get_name() const { return name_; }
 
   struct DerivedParameters
@@ -100,7 +99,6 @@ class SpinDensityInput
   TinyVector<int, DIM> grid_;
   int npoints_{0};
   bool write_report_{false};
-  bool save_memory_{false};
   /** these are necessary for calculateDerivedParameters
    *
    *  If we are going to later write out a canonical input for

src/Estimators/SpinDensityNew.cpp

@@ -27,8 +27,6 @@ SpinDensityNew::SpinDensityNew(SpinDensityInput&& input, const SpeciesSet& speci
       species_size_(getSpeciesSize(species))
 {
   data_locality_ = DataLocality::crowd;
-  if (input_.get_save_memory())
-    dl = DataLocality::rank;
 
   if (input_.get_cell().explicitly_defined == true)
     lattice_ = input_.get_cell();

src/Estimators/tests/test_OneBodyDensityMatricesInput.cpp

@@ -20,6 +20,7 @@
 #include "Message/UniformCommunicateError.h"
 
 #include <iostream>
+#include <string_view>
 
 namespace qmcplusplus
 {
@@ -56,4 +57,20 @@ TEST_CASE("OneBodyDensityMatricesInput::copy_construction", "[estimators]")
   static_assert(std::is_copy_constructible_v<OneBodyDensityMatricesInput>);
 }
 
+TEST_CASE("OneBodyDensityMatricesInput::volume_normed", "[estimators]")
+{
+  constexpr std::string_view input_xml = R"XML(
+<estimator type="OneBodyDensityMatrices" name="OneBodyDensityMatrices">
+  <parameter name="basis">spo_ud</parameter>
+  <parameter name="integrator">uniform</parameter>
+  <parameter name="volume_normed">no</parameter>
+</estimator>
+)XML";
+
+  Libxml2Document doc;
+  REQUIRE(doc.parseFromString(input_xml));
+  OneBodyDensityMatricesInput obdmi(doc.getRoot());
+  CHECK_FALSE(obdmi.get_volume_normalized());
+}
+
 } // namespace qmcplusplus

src/Numerics/OneDimGridFactory.cpp

@@ -27,7 +27,6 @@ std::unique_ptr<OneDimGridFactory::GridType> OneDimGridFactory::createGrid(xmlNo
   RealType astep  = 1.25e-2;
   IndexType npts  = 1001;
   std::string gridType("log");
-  std::string gridID("invalid");
   OhmmsAttributeSet radAttrib;
   radAttrib.add(gridType, "type");
   radAttrib.add(npts, "npts");
@@ -37,9 +36,6 @@ std::unique_ptr<OneDimGridFactory::GridType> OneDimGridFactory::createGrid(xmlNo
   radAttrib.add(astep, "astep");
   radAttrib.add(ascale, "scale");
   radAttrib.add(astep, "step");
-  radAttrib.add(gridID, "id");
-  radAttrib.add(gridID, "name");
-  radAttrib.add(gridID, "ref");
   if (cur != NULL)
     radAttrib.put(cur);
   if (gridType == "log")