Implement SPOSetT<T> template class hierarchy #4684

Asses the effort to change this. Currently without consumers or tests. Concretize friend class declaration Define testing::getMyVars for SPOSetT Add FakeSPOT class 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 Revert test_RotatedSPOs.cpp Reorder specialized function definitions to appease OMP target compilation Add ConstantSPOSetT Refactor BsplineSet and SplineC2C Follow existing pattern for SplineC2C allowing for std::complex<T> PWOribitalSetT and PWBasisT Add FullRealType in SPOSet and RotatedSPOs Move generic definition after specialization add implicit implementations Fix some errors initial commit of templated PWOribitSetT that compiles cleanup templateitze PWBasis as well, as is dependancy remove inaccurate comment remove polluted commit Add LCAOrbitalSetT Add templated class LCAOrbitalSetWithCorrectionT Signed-off-by: Steven Hahn <[email protected]> Add SPOSetBuilderT, SHOSetBuilderT and SoaCuspCorrectionT Fix PWOrbitalSet alias types Fix LCAOrbitalSetWithCorrectionT Reuse SPOSet types Signed-off-by: Steven Hahn <[email protected]> Implement CompositeSPOSetT class Specialize functions in RotatedSPOsT Fix function signature Change order of definition Implement SPOSetBuilderFactoryT and most required builders Add missing implementation to SPOSetBuilderT Signed-off-by: Steven Hahn <[email protected]> Add CI to WIP refactoring branch add SplineR2RT Empty-Commit Further template propagation to fix offload build Implement SplineC2RTOMPTarget template class add missing particlesetT Refactored everything needed for test_RotatedSPOsT Add new bits to RotatedSPOsT Bugfix: removed QMC_COMPLEX conditions where no longer needed Accomodate new refactored headers simd::dot and Spline classes Move memory reference inside PRAGMA Causes a memory corruption when defining internal pos Fix pragma typo with is_device_ptr Implement SPOSetT template class Asses the initial effort to refactor SPOSet into templates without consumers or tests. Concretize friend class declaration Define testing::getMyVars for SPOSetT Add FakeSPOT class 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 Add PWRealOrbitalSetT template class Revert test_RotatedSPOs.cpp Signed-off-by: Steven Hahn <[email protected]> Revert test_RotatedSPOs.cpp PWOribitalSetT and PWBasisT Add FullRealType in SPOSet and RotatedSPOs Move generic definition after specialization add implicit implementations Fix some errors initial commit of templated PWOribitSetT that compiles cleanup templateitze PWBasis as well, as is dependancy remove inaccurate comment remove polluted commit Start replacing legacy code with templated classes Fix ornl CI tests sulfur: Add missing SPOSet header in NiO tests nitrogen: Add missing memory header for std::unique_ptr clang-format-16 on new files Fix license file headers Fix typo with T1->T

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

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Implement SPOSetT<T> template class hierarchy #4684

Implement SPOSetT<T> template class hierarchy #4684

Commits on Nov 9, 2023

Implement SPOSetT<T> template class hierarchy #4684

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Implement SPOSetT<T> template class hierarchy #4684

Commits on Nov 9, 2023