Merge pull request #14 from quantumsteve/ref-add-LCAOrbitalSetT

Add templated class LCAOrbitalSetT
williamfgc · Aug 24, 2023 · bc06c91 · bc06c91
2 parents 6fd2494 + 74c6706
commit bc06c91
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Showing 4 changed files with 1,305 additions and 4 deletions.
diff --git a/src/QMCWaveFunctions/BasisSetBase.h b/src/QMCWaveFunctions/BasisSetBase.h
@@ -134,9 +134,8 @@ struct SoaBasisSetBase
   using vgl_type          = VectorSoaContainer<T, OHMMS_DIM + 2>;
   using vgh_type          = VectorSoaContainer<T, 10>;
   using vghgh_type        = VectorSoaContainer<T, 20>;
-  using ValueType         = QMCTraits::ValueType;
-  using OffloadMWVGLArray = Array<ValueType, 3, OffloadPinnedAllocator<ValueType>>; // [VGL, walker, Orbs]
-  using OffloadMWVArray   = Array<ValueType, 2, OffloadPinnedAllocator<ValueType>>; // [walker, Orbs]
+  using OffloadMWVGLArray = Array<T, 3, OffloadPinnedAllocator<T>>; // [VGL, walker, Orbs]
+  using OffloadMWVArray   = Array<T, 2, OffloadPinnedAllocator<T>>; // [walker, Orbs]
 
   ///size of the basis set
   int BasisSetSize;

diff --git a/src/QMCWaveFunctions/CMakeLists.txt b/src/QMCWaveFunctions/CMakeLists.txt
@@ -71,7 +71,7 @@ if(OHMMS_DIM MATCHES 3)
 
   set(JASTROW_SRCS ${JASTROW_SRCS} Jastrow/eeI_JastrowBuilder.cpp Jastrow/CountingJastrowBuilder.cpp)
 
-  set(FERMION_SRCS ${FERMION_SRCS} LCAO/LCAOrbitalSet.cpp LCAO/LCAOrbitalBuilder.cpp LCAO/MultiQuinticSpline1D.cpp
+  set(FERMION_SRCS ${FERMION_SRCS} LCAO/LCAOrbitalSet.cpp LCAO/LCAOrbitalSetT.cpp LCAO/LCAOrbitalBuilder.cpp LCAO/MultiQuinticSpline1D.cpp
                    LCAO/AOBasisBuilder.cpp LCAO/SoaLocalizedBasisSet.cpp)
   if(QMC_COMPLEX)
     set(FERMION_SRCS ${FERMION_SRCS} LCAO/LCAOSpinorBuilder.cpp)