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Add templated class LCAOrbitalSetT #14

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Aug 24, 2023
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Add templated class LCAOrbitalSetT #14

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5 changes: 2 additions & 3 deletions src/QMCWaveFunctions/BasisSetBase.h
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Original file line number Diff line number Diff line change
Expand Up @@ -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;
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2 changes: 1 addition & 1 deletion src/QMCWaveFunctions/CMakeLists.txt
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Expand Up @@ -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)
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