Add templated class LCAOrbitalSetT #14
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| class LCAOrbitalSetT : public SPOSetT<T> | ||
| { | ||
| public: | ||
| using basis_type = SoaBasisSetBase<T>; |
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Naming convention is caps for type i.e.
basis_type -> Basis
vgl_type -> VGL
....
IndexType -> Index
RealType -> Real
etc.
This is a change to have this more consistent and easier to read I think it should be taken.
| using OffloadMWVArray = Array<T, 2, OffloadPinnedAllocator<T>>; // [walker, Orbs] | ||
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| ///pointer to the basis set | ||
| std::unique_ptr<basis_type> myBasisSet; |
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We do have the UPtr alias in src/type_traits/template_types
| * SoA verson of LCOrtbitalSet | ||
| * Localized basis set is always real | ||
| */ | ||
| template<class T> |
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There is a possibility that some of the arguments to SPOSet functions should always be FullPrec So do we want to revisit that here? There should be a VALUE and VALUE_FP argument then.
I think here we should maintain the menomic trace that this is a Value type that is being templated on here. So use VALUE or VALUE_FP for the template parameter. Since there are rougly speaking two categories of templating on scalars in QMCPACK. There are scalars that historically are called values can be real/complex reduced/full and reals those that are real reduced/full.
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@PDoakORNL Would you repeat this question about SPOSetT<T> on the main QMCPACK PR?
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@quantumsteve please rebase the latest |
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Signed-off-by: Steven Hahn <[email protected]>
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