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Add FakeSPOT class
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Move SpinorSet to a templated class

Refactor FreeOrbital class

Base typed aliases on SPOSet<T> on OrbitalSetTraits<T>

Add FullRealType in SPOSet and RotatedSPOs

Add this in templated meta class

Add explicit function instantions for FreeOrbital

Add templated class SHOSetT

Signed-off-by: Steven Hahn <[email protected]>

Add PWRealOrbitalSetT template class

Revert test_RotatedSPOs.cpp
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quantumsteve authored and williamfgc committed Aug 18, 2023
1 parent bc18a42 commit 17e55cc
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Showing 17 changed files with 5,073 additions and 9 deletions.
9 changes: 5 additions & 4 deletions src/QMCWaveFunctions/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -35,16 +35,17 @@ set(WFBASE_SRCS
SPOSetT.cpp
CompositeSPOSet.cpp
HarmonicOscillator/SHOSet.cpp
HarmonicOscillator/SHOSetT.cpp
HarmonicOscillator/SHOSetBuilder.cpp
ExampleHeBuilder.cpp
ExampleHeComponent.cpp)

if(NOT QMC_COMPLEX)
set(WFBASE_SRCS ${WFBASE_SRCS} RotatedSPOs.cpp)
set(WFBASE_SRCS ${WFBASE_SRCS} RotatedSPOs.cpp RotatedSPOsT.cpp)
endif(NOT QMC_COMPLEX)

if(QMC_COMPLEX)
set(WFBASE_SRCS ${WFBASE_SRCS} SpinorSet.cpp)
set(WFBASE_SRCS ${WFBASE_SRCS} SpinorSet.cpp SpinorSetT.cpp)
endif(QMC_COMPLEX)
########################
# build jastrows
Expand All @@ -63,7 +64,7 @@ set(JASTROW_SRCS
set(JASTROW_OMPTARGET_SRCS
Jastrow/TwoBodyJastrow.cpp
Jastrow/BsplineFunctor.cpp)
set(FERMION_SRCS ${FERMION_SRCS} ElectronGas/FreeOrbital.cpp ElectronGas/FreeOrbitalBuilder.cpp)
set(FERMION_SRCS ${FERMION_SRCS} ElectronGas/FreeOrbital.cpp ElectronGas/FreeOrbitalT.cpp ElectronGas/FreeOrbitalBuilder.cpp)

# wavefunctions only availbale to 3-dim problems
if(OHMMS_DIM MATCHES 3)
Expand Down Expand Up @@ -114,7 +115,7 @@ if(OHMMS_DIM MATCHES 3)
if(QMC_COMPLEX)
set(FERMION_SRCS ${FERMION_SRCS} PlaneWave/PWOrbitalSet.cpp)
else()
set(FERMION_SRCS ${FERMION_SRCS} PlaneWave/PWRealOrbitalSet.cpp)
set(FERMION_SRCS ${FERMION_SRCS} PlaneWave/PWRealOrbitalSet.cpp PlaneWave/PWRealOrbitalSetT.cpp)
endif(QMC_COMPLEX)

if(NOT QMC_COMPLEX)
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