diff --git a/src/QMCHamiltonians/tests/test_RotatedSPOs_NLPP.cpp b/src/QMCHamiltonians/tests/test_RotatedSPOs_NLPP.cpp
index cfed3d9471..84d55b9c32 100644
--- a/src/QMCHamiltonians/tests/test_RotatedSPOs_NLPP.cpp
+++ b/src/QMCHamiltonians/tests/test_RotatedSPOs_NLPP.cpp
@@ -20,7 +20,7 @@
 #include "Particle/ParticleSetPool.h"
 #include "QMCWaveFunctions/WaveFunctionPool.h"
 #include "QMCWaveFunctions/WaveFunctionComponent.h"
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
+#include "BsplineFactory/EinsplineSetBuilder.h"
 #include "QMCHamiltonians/HamiltonianFactory.h"
 #include "Utilities/ProjectData.h"
 
diff --git a/src/QMCWaveFunctions/BsplineFactory/BsplineReaderBase.cpp b/src/QMCWaveFunctions/BsplineFactory/BsplineReaderBase.cpp
index a387eab57f..0c5cf0d2c9 100644
--- a/src/QMCWaveFunctions/BsplineFactory/BsplineReaderBase.cpp
+++ b/src/QMCWaveFunctions/BsplineFactory/BsplineReaderBase.cpp
@@ -17,7 +17,7 @@
  *
  * Implement super function
  */
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
+#include "EinsplineSetBuilder.h"
 #include "BsplineReaderBase.h"
 #include "OhmmsData/AttributeSet.h"
 #include "Message/CommOperators.h"
diff --git a/src/QMCWaveFunctions/EinsplineSetBuilder.h b/src/QMCWaveFunctions/BsplineFactory/EinsplineSetBuilder.h
similarity index 100%
rename from src/QMCWaveFunctions/EinsplineSetBuilder.h
rename to src/QMCWaveFunctions/BsplineFactory/EinsplineSetBuilder.h
diff --git a/src/QMCWaveFunctions/EinsplineSetBuilderCommon.cpp b/src/QMCWaveFunctions/BsplineFactory/EinsplineSetBuilderCommon.cpp
similarity index 99%
rename from src/QMCWaveFunctions/EinsplineSetBuilderCommon.cpp
rename to src/QMCWaveFunctions/BsplineFactory/EinsplineSetBuilderCommon.cpp
index 04f2492455..3f5f19230a 100644
--- a/src/QMCWaveFunctions/EinsplineSetBuilderCommon.cpp
+++ b/src/QMCWaveFunctions/BsplineFactory/EinsplineSetBuilderCommon.cpp
@@ -21,7 +21,7 @@
  * - EinsplineSetBuilder
  * -
 */
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
+#include "EinsplineSetBuilder.h"
 #include "OhmmsData/AttributeSet.h"
 #include "Message/CommOperators.h"
 #include <Message/UniformCommunicateError.h>
diff --git a/src/QMCWaveFunctions/EinsplineSetBuilderESHDF.fft.cpp b/src/QMCWaveFunctions/BsplineFactory/EinsplineSetBuilderESHDF.fft.cpp
similarity index 75%
rename from src/QMCWaveFunctions/EinsplineSetBuilderESHDF.fft.cpp
rename to src/QMCWaveFunctions/BsplineFactory/EinsplineSetBuilderESHDF.fft.cpp
index 82c4507df6..0ee88cb77c 100644
--- a/src/QMCWaveFunctions/EinsplineSetBuilderESHDF.fft.cpp
+++ b/src/QMCWaveFunctions/BsplineFactory/EinsplineSetBuilderESHDF.fft.cpp
@@ -13,7 +13,7 @@
 //////////////////////////////////////////////////////////////////////////////////////
 
 
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
+#include "EinsplineSetBuilder.h"
 #include "DistanceTable.h"
 #include "OhmmsData/AttributeSet.h"
 #include "Utilities/Timer.h"
@@ -40,6 +40,35 @@ bool sortByIndex(BandInfo leftB, BandInfo rightB)
     return (leftB.BandIndex < rightB.BandIndex);
 };
 
+bool EinsplineSetBuilder::ReadOrbitalInfo(bool skipChecks)
+{
+  if (!H5File.open(H5FileName, H5F_ACC_RDONLY))
+  {
+    app_error() << "Could not open HDF5 file \"" << H5FileName << "\" in EinsplineSetBuilder::ReadOrbitalInfo.\n";
+    return false;
+  }
+
+  try
+  {
+    // Read format
+    std::string format;
+    H5File.read(format, "/format");
+    if (format.find("ES") == std::string::npos)
+      throw std::runtime_error("Format string input \"" + format + "\" doesn't contain \"ES\" keyword.");
+    Format = ESHDF;
+    H5File.read(Version, "/version");
+    app_log() << "  HDF5 orbital file version " << Version[0] << "." << Version[1] << "." << Version[2] << std::endl;
+  }
+  catch (const std::exception& e)
+  {
+    app_error() << e.what() << std::endl
+                << "EinsplineSetBuilder::ReadOrbitalInfo h5 file format is too old or it is not a bspline orbital file!"
+                << std::endl;
+    return false;
+  }
+
+  return ReadOrbitalInfo_ESHDF(skipChecks);
+}
 
 bool EinsplineSetBuilder::ReadOrbitalInfo_ESHDF(bool skipChecks)
 {
@@ -339,6 +368,127 @@ bool EinsplineSetBuilder::ReadOrbitalInfo_ESHDF(bool skipChecks)
   return true;
 }
 
+bool EinsplineSetBuilder::ReadGvectors_ESHDF()
+{
+  bool root = myComm->rank() == 0;
+  //this is always ugly
+  MeshSize    = 0;
+  int hasPsig = 1;
+  if (root)
+  {
+    H5File.readEntry(MeshSize, "/electrons/psi_r_mesh");
+    H5File.readEntry(MeshSize, "/electrons/mesh");
+  }
+  myComm->bcast(MeshSize);
+  hasPsig = (MeshSize[0] == 0);
+  if (hasPsig)
+  {
+    int nallowed  = 257;
+    int allowed[] = {72,    75,    80,    81,    90,    96,    100,   108,   120,   125,   128,   135,   144,   150,
+                     160,   162,   180,   192,   200,   216,   225,   240,   243,   250,   256,   270,   288,   300,
+                     320,   324,   360,   375,   384,   400,   405,   432,   450,   480,   486,   500,   512,   540,
+                     576,   600,   625,   640,   648,   675,   720,   729,   750,   768,   800,   810,   864,   900,
+                     960,   972,   1000,  1024,  1080,  1125,  1152,  1200,  1215,  1250,  1280,  1296,  1350,  1440,
+                     1458,  1500,  1536,  1600,  1620,  1728,  1800,  1875,  1920,  1944,  2000,  2025,  2048,  2160,
+                     2187,  2250,  2304,  2400,  2430,  2500,  2560,  2592,  2700,  2880,  2916,  3000,  3072,  3125,
+                     3200,  3240,  3375,  3456,  3600,  3645,  3750,  3840,  3888,  4000,  4050,  4096,  4320,  4374,
+                     4500,  4608,  4800,  4860,  5000,  5120,  5184,  5400,  5625,  5760,  5832,  6000,  6075,  6144,
+                     6250,  6400,  6480,  6561,  6750,  6912,  7200,  7290,  7500,  7680,  7776,  8000,  8100,  8192,
+                     8640,  8748,  9000,  9216,  9375,  9600,  9720,  10000, 10125, 10240, 10368, 10800, 10935, 11250,
+                     11520, 11664, 12000, 12150, 12288, 12500, 12800, 12960, 13122, 13500, 13824, 14400, 14580, 15000,
+                     15360, 15552, 15625, 16000, 16200, 16384, 16875, 17280, 17496, 18000, 18225, 18432, 18750, 19200,
+                     19440, 19683, 20000, 20250, 20480, 20736, 21600, 21870, 22500, 23040, 23328, 24000, 24300, 24576,
+                     25000, 25600, 25920, 26244, 27000, 27648, 28125, 28800, 29160, 30000, 30375, 30720, 31104, 31250,
+                     32000, 32400, 32768, 32805, 33750, 34560, 34992, 36000, 36450, 36864, 37500, 38400, 38880, 39366,
+                     40000, 40500, 40960, 41472, 43200, 43740, 45000, 46080, 46656, 46875, 48000, 48600, 49152, 50000,
+                     50625, 51200, 51840, 52488, 54000, 54675, 55296, 56250, 57600, 58320, 59049, 60000, 60750, 61440,
+                     62208, 62500, 64000, 64800, 65536};
+    MaxNumGvecs   = 0;
+    //    std::set<TinyVector<int,3> > Gset;
+    // Read k-points for all G-vectors and take the union
+    TinyVector<int, 3> maxIndex(0, 0, 0);
+    Gvecs.resize(NumTwists);
+    {
+      int numg = 0;
+      if (root)
+      {
+        std::ostringstream Gpath;
+        Gpath << "/electrons/kpoint_0/gvectors";
+        H5File.read(Gvecs[0], Gpath.str());
+        numg = Gvecs[0].size();
+      }
+      myComm->bcast(numg);
+      if (!root)
+        Gvecs[0].resize(numg);
+      myComm->bcast(Gvecs[0]);
+      MaxNumGvecs = Gvecs[0].size();
+      for (int ig = 0; ig < Gvecs[0].size(); ig++)
+      {
+        maxIndex[0] = std::max(maxIndex[0], std::abs(Gvecs[0][ig][0]));
+        maxIndex[1] = std::max(maxIndex[1], std::abs(Gvecs[0][ig][1]));
+        maxIndex[2] = std::max(maxIndex[2], std::abs(Gvecs[0][ig][2]));
+      }
+      // for (int ig=0; ig<Gvecs.size(); ig++)
+      // 	if (Gset.find(Gvecs[ig]) == Gset.end())
+      // 	  Gset.insert(Gvecs[ig]);
+    } //done with kpoint_0
+    MeshSize[0] = (int)std::ceil(4.0 * MeshFactor * maxIndex[0]);
+    MeshSize[1] = (int)std::ceil(4.0 * MeshFactor * maxIndex[1]);
+    MeshSize[2] = (int)std::ceil(4.0 * MeshFactor * maxIndex[2]);
+    //only use 2^a 3^b 5^c where a>=2  up to 65536
+    int* ix     = std::lower_bound(allowed, allowed + nallowed, MeshSize[0]);
+    int* iy     = std::lower_bound(allowed, allowed + nallowed, MeshSize[1]);
+    int* iz     = std::lower_bound(allowed, allowed + nallowed, MeshSize[2]);
+    MeshSize[0] = (MeshSize[0] > 128) ? *ix : (MeshSize[0] + MeshSize[0] % 2);
+    MeshSize[1] = (MeshSize[1] > 128) ? *iy : (MeshSize[1] + MeshSize[1] % 2);
+    MeshSize[2] = (MeshSize[2] > 128) ? *iz : (MeshSize[2] + MeshSize[2] % 2);
+    if (Version[0] < 2)
+    {
+      //get the map for each twist, but use the MeshSize from kpoint_0
+      app_log() << "  ESHDF::Version " << Version << std::endl;
+      app_log() << "  Assumes distinct Gvecs set for different twists. Regenerate orbital files using updated QE."
+                << std::endl;
+      for (int k = 0; k < DistinctTwists.size(); ++k)
+      {
+        int ik = DistinctTwists[k];
+        if (ik == 0)
+          continue; //already done
+        int numg = 0;
+        if (root)
+        {
+          std::ostringstream Gpath;
+          Gpath << "/electrons/kpoint_" << ik << "/gvectors";
+          H5File.read(Gvecs[ik], Gpath.str());
+          numg = Gvecs[ik].size();
+        }
+        myComm->bcast(numg);
+        if (numg == 0)
+        {
+          //copy kpoint_0, default
+          Gvecs[ik] = Gvecs[0];
+        }
+        else
+        {
+          if (numg != MaxNumGvecs)
+          {
+            std::ostringstream o;
+            o << "Twist " << ik << ": The number of Gvecs is different from kpoint_0."
+              << " This is not supported anymore. Rerun pw2qmcpack.x or equivalent";
+            APP_ABORT(o.str());
+          }
+          if (!root)
+            Gvecs[ik].resize(numg);
+          myComm->bcast(Gvecs[ik]);
+        }
+      }
+    }
+  }
+  app_log() << "B-spline mesh factor is " << MeshFactor << std::endl;
+  app_log() << "B-spline mesh size is (" << MeshSize[0] << ", " << MeshSize[1] << ", " << MeshSize[2] << ")\n";
+  app_log() << "Maxmimum number of Gvecs " << MaxNumGvecs << std::endl;
+  app_log().flush();
+  return hasPsig;
+}
 
 void EinsplineSetBuilder::OccupyBands_ESHDF(int spin, int sortBands, int numOrbs)
 {
diff --git a/src/QMCWaveFunctions/EinsplineSetBuilder_createSPOs.cpp b/src/QMCWaveFunctions/BsplineFactory/EinsplineSetBuilder_createSPOs.cpp
similarity index 97%
rename from src/QMCWaveFunctions/EinsplineSetBuilder_createSPOs.cpp
rename to src/QMCWaveFunctions/BsplineFactory/EinsplineSetBuilder_createSPOs.cpp
index ab852a139f..8aba6bf396 100644
--- a/src/QMCWaveFunctions/EinsplineSetBuilder_createSPOs.cpp
+++ b/src/QMCWaveFunctions/BsplineFactory/EinsplineSetBuilder_createSPOs.cpp
@@ -17,7 +17,7 @@
 //////////////////////////////////////////////////////////////////////////////////////
 
 
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
+#include "EinsplineSetBuilder.h"
 #include <PlatformSelector.hpp>
 #include "CPU/e2iphi.h"
 #include "CPU/SIMD/vmath.hpp"
@@ -28,10 +28,10 @@
 #include "Particle/DistanceTable.h"
 #include <fftw3.h>
 #include "Utilities/ProgressReportEngine.h"
-#include "QMCWaveFunctions/einspline_helper.hpp"
-#include "QMCWaveFunctions/BsplineFactory/BsplineReaderBase.h"
-#include "QMCWaveFunctions/BsplineFactory/BsplineSet.h"
-#include "QMCWaveFunctions/BsplineFactory/createBsplineReader.h"
+#include "einspline_helper.hpp"
+#include "BsplineReaderBase.h"
+#include "BsplineSet.h"
+#include "createBsplineReader.h"
 
 #include <array>
 #include <string_view>
diff --git a/src/QMCWaveFunctions/EinsplineSpinorSetBuilder.cpp b/src/QMCWaveFunctions/BsplineFactory/EinsplineSpinorSetBuilder.cpp
similarity index 97%
rename from src/QMCWaveFunctions/EinsplineSpinorSetBuilder.cpp
rename to src/QMCWaveFunctions/BsplineFactory/EinsplineSpinorSetBuilder.cpp
index a1a1b1b046..e0cde5fa49 100644
--- a/src/QMCWaveFunctions/EinsplineSpinorSetBuilder.cpp
+++ b/src/QMCWaveFunctions/BsplineFactory/EinsplineSpinorSetBuilder.cpp
@@ -22,9 +22,9 @@
 #include "OhmmsData/AttributeSet.h"
 #include "Message/CommOperators.h"
 #include "Utilities/Timer.h"
-#include "QMCWaveFunctions/einspline_helper.hpp"
-#include "QMCWaveFunctions/BsplineFactory/BsplineReaderBase.h"
-#include "QMCWaveFunctions/BsplineFactory/createBsplineReader.h"
+#include "einspline_helper.hpp"
+#include "BsplineReaderBase.h"
+#include "createBsplineReader.h"
 
 namespace qmcplusplus
 {
diff --git a/src/QMCWaveFunctions/EinsplineSpinorSetBuilder.h b/src/QMCWaveFunctions/BsplineFactory/EinsplineSpinorSetBuilder.h
similarity index 96%
rename from src/QMCWaveFunctions/EinsplineSpinorSetBuilder.h
rename to src/QMCWaveFunctions/BsplineFactory/EinsplineSpinorSetBuilder.h
index 33d356397f..73b7f885c8 100644
--- a/src/QMCWaveFunctions/EinsplineSpinorSetBuilder.h
+++ b/src/QMCWaveFunctions/BsplineFactory/EinsplineSpinorSetBuilder.h
@@ -20,7 +20,7 @@
 #define QMCPLUSPLUS_EINSPLINE_SPINORSET_BUILDER_H
 
 #include "QMCWaveFunctions/SPOSetBuilder.h"
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
+#include "BsplineFactory/EinsplineSetBuilder.h"
 class Communicate;
 
 namespace qmcplusplus
diff --git a/src/QMCWaveFunctions/BsplineFactory/createComplexDouble.cpp b/src/QMCWaveFunctions/BsplineFactory/createComplexDouble.cpp
index ad1eb9d270..202c79f469 100644
--- a/src/QMCWaveFunctions/BsplineFactory/createComplexDouble.cpp
+++ b/src/QMCWaveFunctions/BsplineFactory/createComplexDouble.cpp
@@ -15,18 +15,18 @@
 #include "CPU/e2iphi.h"
 #include "CPU/SIMD/vmath.hpp"
 #include "Utilities/ProgressReportEngine.h"
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
-#include "QMCWaveFunctions/BsplineFactory/BsplineSet.h"
-#include "QMCWaveFunctions/BsplineFactory/SplineC2R.h"
-#include "QMCWaveFunctions/BsplineFactory/SplineC2C.h"
-#include "QMCWaveFunctions/BsplineFactory/SplineC2ROMPTarget.h"
-#include "QMCWaveFunctions/BsplineFactory/SplineC2COMPTarget.h"
-#include "QMCWaveFunctions/BsplineFactory/HybridRepCplx.h"
+#include "EinsplineSetBuilder.h"
+#include "BsplineSet.h"
+#include "SplineC2R.h"
+#include "SplineC2C.h"
+#include "SplineC2ROMPTarget.h"
+#include "SplineC2COMPTarget.h"
+#include "HybridRepCplx.h"
 #include <fftw3.h>
-#include "QMCWaveFunctions/einspline_helper.hpp"
-#include "QMCWaveFunctions/BsplineFactory/BsplineReaderBase.h"
-#include "QMCWaveFunctions/BsplineFactory/SplineSetReader.h"
-#include "QMCWaveFunctions/BsplineFactory/HybridRepSetReader.h"
+#include "einspline_helper.hpp"
+#include "BsplineReaderBase.h"
+#include "SplineSetReader.h"
+#include "HybridRepSetReader.h"
 
 namespace qmcplusplus
 {
diff --git a/src/QMCWaveFunctions/BsplineFactory/createComplexSingle.cpp b/src/QMCWaveFunctions/BsplineFactory/createComplexSingle.cpp
index c15ec89029..9711a404fe 100644
--- a/src/QMCWaveFunctions/BsplineFactory/createComplexSingle.cpp
+++ b/src/QMCWaveFunctions/BsplineFactory/createComplexSingle.cpp
@@ -15,18 +15,18 @@
 #include "CPU/e2iphi.h"
 #include "CPU/SIMD/vmath.hpp"
 #include "Utilities/ProgressReportEngine.h"
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
-#include "QMCWaveFunctions/BsplineFactory/BsplineSet.h"
-#include "QMCWaveFunctions/BsplineFactory/SplineC2R.h"
-#include "QMCWaveFunctions/BsplineFactory/SplineC2C.h"
-#include "QMCWaveFunctions/BsplineFactory/SplineC2ROMPTarget.h"
-#include "QMCWaveFunctions/BsplineFactory/SplineC2COMPTarget.h"
-#include "QMCWaveFunctions/BsplineFactory/HybridRepCplx.h"
+#include "EinsplineSetBuilder.h"
+#include "BsplineSet.h"
+#include "SplineC2R.h"
+#include "SplineC2C.h"
+#include "SplineC2ROMPTarget.h"
+#include "SplineC2COMPTarget.h"
+#include "HybridRepCplx.h"
 #include <fftw3.h>
-#include "QMCWaveFunctions/einspline_helper.hpp"
-#include "QMCWaveFunctions/BsplineFactory/BsplineReaderBase.h"
-#include "QMCWaveFunctions/BsplineFactory/SplineSetReader.h"
-#include "QMCWaveFunctions/BsplineFactory/HybridRepSetReader.h"
+#include "einspline_helper.hpp"
+#include "BsplineReaderBase.h"
+#include "SplineSetReader.h"
+#include "HybridRepSetReader.h"
 
 namespace qmcplusplus
 {
diff --git a/src/QMCWaveFunctions/BsplineFactory/createRealDouble.cpp b/src/QMCWaveFunctions/BsplineFactory/createRealDouble.cpp
index c541bd5fb1..1dfd43d5f2 100644
--- a/src/QMCWaveFunctions/BsplineFactory/createRealDouble.cpp
+++ b/src/QMCWaveFunctions/BsplineFactory/createRealDouble.cpp
@@ -13,15 +13,15 @@
 #include "QMCWaveFunctions/BsplineFactory/createBsplineReader.h"
 #include <PlatformSelector.hpp>
 #include "Utilities/ProgressReportEngine.h"
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
-#include "QMCWaveFunctions/BsplineFactory/BsplineSet.h"
-#include "QMCWaveFunctions/BsplineFactory/SplineR2R.h"
-#include "QMCWaveFunctions/BsplineFactory/HybridRepReal.h"
+#include "EinsplineSetBuilder.h"
+#include "BsplineSet.h"
+#include "SplineR2R.h"
+#include "HybridRepReal.h"
 #include <fftw3.h>
-#include "QMCWaveFunctions/einspline_helper.hpp"
-#include "QMCWaveFunctions/BsplineFactory/BsplineReaderBase.h"
-#include "QMCWaveFunctions/BsplineFactory/SplineSetReader.h"
-#include "QMCWaveFunctions/BsplineFactory/HybridRepSetReader.h"
+#include "einspline_helper.hpp"
+#include "BsplineReaderBase.h"
+#include "SplineSetReader.h"
+#include "HybridRepSetReader.h"
 
 namespace qmcplusplus
 {
diff --git a/src/QMCWaveFunctions/BsplineFactory/createRealSingle.cpp b/src/QMCWaveFunctions/BsplineFactory/createRealSingle.cpp
index 9f9887fbf7..5b5a3a2924 100644
--- a/src/QMCWaveFunctions/BsplineFactory/createRealSingle.cpp
+++ b/src/QMCWaveFunctions/BsplineFactory/createRealSingle.cpp
@@ -13,15 +13,15 @@
 #include "QMCWaveFunctions/BsplineFactory/createBsplineReader.h"
 #include <PlatformSelector.hpp>
 #include "Utilities/ProgressReportEngine.h"
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
-#include "QMCWaveFunctions/BsplineFactory/BsplineSet.h"
-#include "QMCWaveFunctions/BsplineFactory/SplineR2R.h"
-#include "QMCWaveFunctions/BsplineFactory/HybridRepReal.h"
+#include "EinsplineSetBuilder.h"
+#include "BsplineSet.h"
+#include "SplineR2R.h"
+#include "HybridRepReal.h"
 #include <fftw3.h>
-#include "QMCWaveFunctions/einspline_helper.hpp"
-#include "QMCWaveFunctions/BsplineFactory/BsplineReaderBase.h"
-#include "QMCWaveFunctions/BsplineFactory/SplineSetReader.h"
-#include "QMCWaveFunctions/BsplineFactory/HybridRepSetReader.h"
+#include "einspline_helper.hpp"
+#include "BsplineReaderBase.h"
+#include "SplineSetReader.h"
+#include "HybridRepSetReader.h"
 
 namespace qmcplusplus
 {
diff --git a/src/QMCWaveFunctions/einspline_helper.hpp b/src/QMCWaveFunctions/BsplineFactory/einspline_helper.hpp
similarity index 100%
rename from src/QMCWaveFunctions/einspline_helper.hpp
rename to src/QMCWaveFunctions/BsplineFactory/einspline_helper.hpp
diff --git a/src/QMCWaveFunctions/CMakeLists.txt b/src/QMCWaveFunctions/CMakeLists.txt
index fe26571d8f..886663216c 100644
--- a/src/QMCWaveFunctions/CMakeLists.txt
+++ b/src/QMCWaveFunctions/CMakeLists.txt
@@ -82,11 +82,9 @@ if(OHMMS_DIM MATCHES 3)
   if(HAVE_EINSPLINE)
     set(FERMION_SRCS
         ${FERMION_SRCS}
-        EinsplineSetBuilderCommon.cpp
-        EinsplineSetBuilderOld.cpp
-        EinsplineSetBuilderReadBands_ESHDF.cpp
-        EinsplineSetBuilderESHDF.fft.cpp
-        EinsplineSetBuilder_createSPOs.cpp
+        BsplineFactory/EinsplineSetBuilderCommon.cpp
+        BsplineFactory/EinsplineSetBuilderESHDF.fft.cpp
+        BsplineFactory/EinsplineSetBuilder_createSPOs.cpp
         BsplineFactory/createComplexDouble.cpp
         BsplineFactory/createComplexSingle.cpp
         BsplineFactory/HybridRepCenterOrbitals.cpp
@@ -94,7 +92,7 @@ if(OHMMS_DIM MATCHES 3)
         BsplineFactory/BsplineReaderBase.cpp)
     set(FERMION_OMPTARGET_SRCS Fermion/DiracDeterminantBatched.cpp Fermion/MultiDiracDeterminant.2.cpp)
     if(QMC_COMPLEX)
-      set(FERMION_SRCS ${FERMION_SRCS} EinsplineSpinorSetBuilder.cpp BsplineFactory/SplineC2C.cpp)
+      set(FERMION_SRCS ${FERMION_SRCS} BsplineFactory/EinsplineSpinorSetBuilder.cpp BsplineFactory/SplineC2C.cpp)
       set(FERMION_OMPTARGET_SRCS ${FERMION_OMPTARGET_SRCS} BsplineFactory/SplineC2COMPTarget.cpp)
     else(QMC_COMPLEX)
       set(FERMION_SRCS ${FERMION_SRCS} BsplineFactory/createRealSingle.cpp BsplineFactory/createRealDouble.cpp
diff --git a/src/QMCWaveFunctions/EinsplineSetBuilderOld.cpp b/src/QMCWaveFunctions/EinsplineSetBuilderOld.cpp
deleted file mode 100644
index 64f395baea..0000000000
--- a/src/QMCWaveFunctions/EinsplineSetBuilderOld.cpp
+++ /dev/null
@@ -1,51 +0,0 @@
-//////////////////////////////////////////////////////////////////////////////////////
-// This file is distributed under the University of Illinois/NCSA Open Source License.
-// See LICENSE file in top directory for details.
-//
-// Copyright (c) 2016 Jeongnim Kim and QMCPACK developers.
-//
-// File developed by: Ken Esler, kpesler@gmail.com, University of Illinois at Urbana-Champaign
-//                    Jeremy McMinnis, jmcminis@gmail.com, University of Illinois at Urbana-Champaign
-//                    Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
-//                    Ye Luo, yeluo@anl.gov, Argonne National Laboratory
-//                    Mark A. Berrill, berrillma@ornl.gov, Oak Ridge National Laboratory
-//
-// File created by: Ken Esler, kpesler@gmail.com, University of Illinois at Urbana-Champaign
-//////////////////////////////////////////////////////////////////////////////////////
-
-
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
-
-namespace qmcplusplus
-{
-bool EinsplineSetBuilder::ReadOrbitalInfo(bool skipChecks)
-{
-  if (!H5File.open(H5FileName, H5F_ACC_RDONLY))
-  {
-    app_error() << "Could not open HDF5 file \"" << H5FileName << "\" in EinsplineSetBuilder::ReadOrbitalInfo.\n";
-    return false;
-  }
-
-  try
-  {
-    // Read format
-    std::string format;
-    H5File.read(format, "/format");
-    if (format.find("ES") == std::string::npos)
-      throw std::runtime_error("Format string input \"" + format + "\" doesn't contain \"ES\" keyword.");
-    Format = ESHDF;
-    H5File.read(Version, "/version");
-    app_log() << "  HDF5 orbital file version " << Version[0] << "." << Version[1] << "." << Version[2] << std::endl;
-  }
-  catch (const std::exception& e)
-  {
-    app_error() << e.what() << std::endl
-                << "EinsplineSetBuilder::ReadOrbitalInfo h5 file format is too old or it is not a bspline orbital file!"
-                << std::endl;
-    return false;
-  }
-
-  return ReadOrbitalInfo_ESHDF(skipChecks);
-}
-
-} // namespace qmcplusplus
diff --git a/src/QMCWaveFunctions/EinsplineSetBuilderReadBands_ESHDF.cpp b/src/QMCWaveFunctions/EinsplineSetBuilderReadBands_ESHDF.cpp
deleted file mode 100644
index a53dcdf9cf..0000000000
--- a/src/QMCWaveFunctions/EinsplineSetBuilderReadBands_ESHDF.cpp
+++ /dev/null
@@ -1,148 +0,0 @@
-//////////////////////////////////////////////////////////////////////////////////////
-// This file is distributed under the University of Illinois/NCSA Open Source License.
-// See LICENSE file in top directory for details.
-//
-// Copyright (c) 2016 Jeongnim Kim and QMCPACK developers.
-//
-// File developed by: Jeremy McMinnis, jmcminis@gmail.com, University of Illinois at Urbana-Champaign
-//                    Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
-//                    Ye Luo, yeluo@anl.gov, Argonne National Laboratory
-//                    Mark A. Berrill, berrillma@ornl.gov, Oak Ridge National Laboratory
-//
-// File created by: Jeremy McMinnis, jmcminis@gmail.com, University of Illinois at Urbana-Champaign
-//////////////////////////////////////////////////////////////////////////////////////
-
-
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
-#include "Utilities/ProgressReportEngine.h"
-#include "Message/CommOperators.h"
-#include <fftw3.h>
-#include "QMCWaveFunctions/einspline_helper.hpp"
-
-namespace qmcplusplus
-{
-
-bool EinsplineSetBuilder::ReadGvectors_ESHDF()
-{
-  bool root = myComm->rank() == 0;
-  //this is always ugly
-  MeshSize    = 0;
-  int hasPsig = 1;
-  if (root)
-  {
-    H5File.readEntry(MeshSize, "/electrons/psi_r_mesh");
-    H5File.readEntry(MeshSize, "/electrons/mesh");
-  }
-  myComm->bcast(MeshSize);
-  hasPsig = (MeshSize[0] == 0);
-  if (hasPsig)
-  {
-    int nallowed  = 257;
-    int allowed[] = {72,    75,    80,    81,    90,    96,    100,   108,   120,   125,   128,   135,   144,   150,
-                     160,   162,   180,   192,   200,   216,   225,   240,   243,   250,   256,   270,   288,   300,
-                     320,   324,   360,   375,   384,   400,   405,   432,   450,   480,   486,   500,   512,   540,
-                     576,   600,   625,   640,   648,   675,   720,   729,   750,   768,   800,   810,   864,   900,
-                     960,   972,   1000,  1024,  1080,  1125,  1152,  1200,  1215,  1250,  1280,  1296,  1350,  1440,
-                     1458,  1500,  1536,  1600,  1620,  1728,  1800,  1875,  1920,  1944,  2000,  2025,  2048,  2160,
-                     2187,  2250,  2304,  2400,  2430,  2500,  2560,  2592,  2700,  2880,  2916,  3000,  3072,  3125,
-                     3200,  3240,  3375,  3456,  3600,  3645,  3750,  3840,  3888,  4000,  4050,  4096,  4320,  4374,
-                     4500,  4608,  4800,  4860,  5000,  5120,  5184,  5400,  5625,  5760,  5832,  6000,  6075,  6144,
-                     6250,  6400,  6480,  6561,  6750,  6912,  7200,  7290,  7500,  7680,  7776,  8000,  8100,  8192,
-                     8640,  8748,  9000,  9216,  9375,  9600,  9720,  10000, 10125, 10240, 10368, 10800, 10935, 11250,
-                     11520, 11664, 12000, 12150, 12288, 12500, 12800, 12960, 13122, 13500, 13824, 14400, 14580, 15000,
-                     15360, 15552, 15625, 16000, 16200, 16384, 16875, 17280, 17496, 18000, 18225, 18432, 18750, 19200,
-                     19440, 19683, 20000, 20250, 20480, 20736, 21600, 21870, 22500, 23040, 23328, 24000, 24300, 24576,
-                     25000, 25600, 25920, 26244, 27000, 27648, 28125, 28800, 29160, 30000, 30375, 30720, 31104, 31250,
-                     32000, 32400, 32768, 32805, 33750, 34560, 34992, 36000, 36450, 36864, 37500, 38400, 38880, 39366,
-                     40000, 40500, 40960, 41472, 43200, 43740, 45000, 46080, 46656, 46875, 48000, 48600, 49152, 50000,
-                     50625, 51200, 51840, 52488, 54000, 54675, 55296, 56250, 57600, 58320, 59049, 60000, 60750, 61440,
-                     62208, 62500, 64000, 64800, 65536};
-    MaxNumGvecs   = 0;
-    //    std::set<TinyVector<int,3> > Gset;
-    // Read k-points for all G-vectors and take the union
-    TinyVector<int, 3> maxIndex(0, 0, 0);
-    Gvecs.resize(NumTwists);
-    {
-      int numg = 0;
-      if (root)
-      {
-        std::ostringstream Gpath;
-        Gpath << "/electrons/kpoint_0/gvectors";
-        H5File.read(Gvecs[0], Gpath.str());
-        numg = Gvecs[0].size();
-      }
-      myComm->bcast(numg);
-      if (!root)
-        Gvecs[0].resize(numg);
-      myComm->bcast(Gvecs[0]);
-      MaxNumGvecs = Gvecs[0].size();
-      for (int ig = 0; ig < Gvecs[0].size(); ig++)
-      {
-        maxIndex[0] = std::max(maxIndex[0], std::abs(Gvecs[0][ig][0]));
-        maxIndex[1] = std::max(maxIndex[1], std::abs(Gvecs[0][ig][1]));
-        maxIndex[2] = std::max(maxIndex[2], std::abs(Gvecs[0][ig][2]));
-      }
-      // for (int ig=0; ig<Gvecs.size(); ig++)
-      // 	if (Gset.find(Gvecs[ig]) == Gset.end())
-      // 	  Gset.insert(Gvecs[ig]);
-    } //done with kpoint_0
-    MeshSize[0] = (int)std::ceil(4.0 * MeshFactor * maxIndex[0]);
-    MeshSize[1] = (int)std::ceil(4.0 * MeshFactor * maxIndex[1]);
-    MeshSize[2] = (int)std::ceil(4.0 * MeshFactor * maxIndex[2]);
-    //only use 2^a 3^b 5^c where a>=2  up to 65536
-    int* ix     = std::lower_bound(allowed, allowed + nallowed, MeshSize[0]);
-    int* iy     = std::lower_bound(allowed, allowed + nallowed, MeshSize[1]);
-    int* iz     = std::lower_bound(allowed, allowed + nallowed, MeshSize[2]);
-    MeshSize[0] = (MeshSize[0] > 128) ? *ix : (MeshSize[0] + MeshSize[0] % 2);
-    MeshSize[1] = (MeshSize[1] > 128) ? *iy : (MeshSize[1] + MeshSize[1] % 2);
-    MeshSize[2] = (MeshSize[2] > 128) ? *iz : (MeshSize[2] + MeshSize[2] % 2);
-    if (Version[0] < 2)
-    {
-      //get the map for each twist, but use the MeshSize from kpoint_0
-      app_log() << "  ESHDF::Version " << Version << std::endl;
-      app_log() << "  Assumes distinct Gvecs set for different twists. Regenerate orbital files using updated QE."
-                << std::endl;
-      for (int k = 0; k < DistinctTwists.size(); ++k)
-      {
-        int ik = DistinctTwists[k];
-        if (ik == 0)
-          continue; //already done
-        int numg = 0;
-        if (root)
-        {
-          std::ostringstream Gpath;
-          Gpath << "/electrons/kpoint_" << ik << "/gvectors";
-          H5File.read(Gvecs[ik], Gpath.str());
-          numg = Gvecs[ik].size();
-        }
-        myComm->bcast(numg);
-        if (numg == 0)
-        {
-          //copy kpoint_0, default
-          Gvecs[ik] = Gvecs[0];
-        }
-        else
-        {
-          if (numg != MaxNumGvecs)
-          {
-            std::ostringstream o;
-            o << "Twist " << ik << ": The number of Gvecs is different from kpoint_0."
-              << " This is not supported anymore. Rerun pw2qmcpack.x or equivalent";
-            APP_ABORT(o.str());
-          }
-          if (!root)
-            Gvecs[ik].resize(numg);
-          myComm->bcast(Gvecs[ik]);
-        }
-      }
-    }
-  }
-  app_log() << "B-spline mesh factor is " << MeshFactor << std::endl;
-  app_log() << "B-spline mesh size is (" << MeshSize[0] << ", " << MeshSize[1] << ", " << MeshSize[2] << ")\n";
-  app_log() << "Maxmimum number of Gvecs " << MaxNumGvecs << std::endl;
-  app_log().flush();
-  return hasPsig;
-}
-
-
-} // namespace qmcplusplus
diff --git a/src/QMCWaveFunctions/SPOSetBuilderFactory.cpp b/src/QMCWaveFunctions/SPOSetBuilderFactory.cpp
index 6abce2b7e5..c878d5120e 100644
--- a/src/QMCWaveFunctions/SPOSetBuilderFactory.cpp
+++ b/src/QMCWaveFunctions/SPOSetBuilderFactory.cpp
@@ -25,12 +25,12 @@
 #include "QMCWaveFunctions/LCAO/LCAOrbitalBuilder.h"
 
 #if defined(QMC_COMPLEX)
-#include "QMCWaveFunctions/EinsplineSpinorSetBuilder.h"
+#include "BsplineFactory/EinsplineSpinorSetBuilder.h"
 #include "QMCWaveFunctions/LCAO/LCAOSpinorBuilder.h"
 #endif
 
 #if defined(HAVE_EINSPLINE)
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
+#include "BsplineFactory/EinsplineSetBuilder.h"
 #endif
 #endif
 #include "QMCWaveFunctions/CompositeSPOSet.h"
diff --git a/src/QMCWaveFunctions/tests/test_RotatedSPOs.cpp b/src/QMCWaveFunctions/tests/test_RotatedSPOs.cpp
index 39e35c9c70..af6f5b9cf0 100644
--- a/src/QMCWaveFunctions/tests/test_RotatedSPOs.cpp
+++ b/src/QMCWaveFunctions/tests/test_RotatedSPOs.cpp
@@ -18,7 +18,7 @@
 #include "Particle/ParticleSet.h"
 #include "Particle/ParticleSetPool.h"
 #include "QMCWaveFunctions/WaveFunctionComponent.h"
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
+#include "BsplineFactory/EinsplineSetBuilder.h"
 #include "QMCWaveFunctions/RotatedSPOs.h"
 #include "checkMatrix.hpp"
 #include "FakeSPO.h"
diff --git a/src/QMCWaveFunctions/tests/test_TrialWaveFunction.cpp b/src/QMCWaveFunctions/tests/test_TrialWaveFunction.cpp
index ced96cd440..091af35768 100644
--- a/src/QMCWaveFunctions/tests/test_TrialWaveFunction.cpp
+++ b/src/QMCWaveFunctions/tests/test_TrialWaveFunction.cpp
@@ -17,7 +17,7 @@
 #include "Particle/ParticleSet.h"
 #include "Particle/ParticleSetPool.h"
 #include "QMCWaveFunctions/TrialWaveFunction.h"
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
+#include "BsplineFactory/EinsplineSetBuilder.h"
 #include "QMCWaveFunctions/Fermion/DiracDeterminant.h"
 #include "QMCWaveFunctions/Fermion/SlaterDet.h"
 #include "QMCWaveFunctions/Jastrow/RadialJastrowBuilder.h"
diff --git a/src/QMCWaveFunctions/tests/test_TrialWaveFunction_He.cpp b/src/QMCWaveFunctions/tests/test_TrialWaveFunction_He.cpp
index ec1bd7ff24..ed969b392c 100644
--- a/src/QMCWaveFunctions/tests/test_TrialWaveFunction_He.cpp
+++ b/src/QMCWaveFunctions/tests/test_TrialWaveFunction_He.cpp
@@ -17,7 +17,7 @@
 #include "Particle/ParticleSet.h"
 #include "Particle/ParticleSetPool.h"
 #include "QMCWaveFunctions/TrialWaveFunction.h"
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
+#include "BsplineFactory/EinsplineSetBuilder.h"
 #include "QMCWaveFunctions/Fermion/DiracDeterminant.h"
 #include "QMCWaveFunctions/Fermion/SlaterDet.h"
 #include "QMCWaveFunctions/Jastrow/RadialJastrowBuilder.h"
diff --git a/src/QMCWaveFunctions/tests/test_TrialWaveFunction_diamondC_2x1x1.cpp b/src/QMCWaveFunctions/tests/test_TrialWaveFunction_diamondC_2x1x1.cpp
index d24570574e..e36e2f59c2 100644
--- a/src/QMCWaveFunctions/tests/test_TrialWaveFunction_diamondC_2x1x1.cpp
+++ b/src/QMCWaveFunctions/tests/test_TrialWaveFunction_diamondC_2x1x1.cpp
@@ -18,7 +18,7 @@
 #include "ParticleSetPool.h"
 #include "DistanceTable.h"
 #include "QMCWaveFunctions/TrialWaveFunction.h"
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
+#include "BsplineFactory/EinsplineSetBuilder.h"
 #include "QMCWaveFunctions/Fermion/DiracDeterminantBatched.h"
 #include "QMCWaveFunctions/Fermion/DiracDeterminant.h"
 #include "QMCWaveFunctions/Fermion/SlaterDet.h"
diff --git a/src/QMCWaveFunctions/tests/test_einset.cpp b/src/QMCWaveFunctions/tests/test_einset.cpp
index ca6cb4b8d6..8dd00c2621 100644
--- a/src/QMCWaveFunctions/tests/test_einset.cpp
+++ b/src/QMCWaveFunctions/tests/test_einset.cpp
@@ -17,8 +17,8 @@
 #include "Particle/ParticleSet.h"
 #include "Particle/ParticleSetPool.h"
 #include "QMCWaveFunctions/WaveFunctionComponent.h"
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
-#include "QMCWaveFunctions/EinsplineSpinorSetBuilder.h"
+#include "BsplineFactory/EinsplineSetBuilder.h"
+#include "BsplineFactory/EinsplineSpinorSetBuilder.h"
 #include <ResourceCollection.h>
 
 #include <stdio.h>
diff --git a/src/QMCWaveFunctions/tests/test_einset_NiO_a16.cpp b/src/QMCWaveFunctions/tests/test_einset_NiO_a16.cpp
index 1758a13d33..6642f86761 100644
--- a/src/QMCWaveFunctions/tests/test_einset_NiO_a16.cpp
+++ b/src/QMCWaveFunctions/tests/test_einset_NiO_a16.cpp
@@ -17,8 +17,8 @@
 #include "Particle/ParticleSet.h"
 #include "Particle/ParticleSetPool.h"
 #include "QMCWaveFunctions/WaveFunctionComponent.h"
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
-#include "QMCWaveFunctions/EinsplineSpinorSetBuilder.h"
+#include "BsplineFactory/EinsplineSetBuilder.h"
+#include "BsplineFactory/EinsplineSpinorSetBuilder.h"
 #include <ResourceCollection.h>
 
 #include <stdio.h>
diff --git a/src/QMCWaveFunctions/tests/test_hybridrep.cpp b/src/QMCWaveFunctions/tests/test_hybridrep.cpp
index b56b37d096..e0c3d8eec2 100644
--- a/src/QMCWaveFunctions/tests/test_hybridrep.cpp
+++ b/src/QMCWaveFunctions/tests/test_hybridrep.cpp
@@ -22,8 +22,8 @@
 #include "Particle/ParticleSet.h"
 #include "Particle/ParticleSetPool.h"
 #include "QMCWaveFunctions/WaveFunctionComponent.h"
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
-#include "QMCWaveFunctions/EinsplineSpinorSetBuilder.h"
+#include "BsplineFactory/EinsplineSetBuilder.h"
+#include "BsplineFactory/EinsplineSpinorSetBuilder.h"
 #include <ResourceCollection.h>
 
 using std::string;
diff --git a/src/QMCWaveFunctions/tests/test_spline_applyrotation.cpp b/src/QMCWaveFunctions/tests/test_spline_applyrotation.cpp
index 05cca909d4..b0741c2074 100644
--- a/src/QMCWaveFunctions/tests/test_spline_applyrotation.cpp
+++ b/src/QMCWaveFunctions/tests/test_spline_applyrotation.cpp
@@ -16,8 +16,8 @@
 #include "Particle/ParticleSet.h"
 #include "Particle/ParticleSetPool.h"
 #include "QMCWaveFunctions/WaveFunctionComponent.h"
-#include "QMCWaveFunctions/EinsplineSetBuilder.h"
-#include "QMCWaveFunctions/EinsplineSpinorSetBuilder.h"
+#include "BsplineFactory/EinsplineSetBuilder.h"
+#include "BsplineFactory/EinsplineSpinorSetBuilder.h"
 #include "QMCWaveFunctions/BsplineFactory/SplineC2C.h"
 #include "Utilities/for_testing/checkMatrix.hpp"