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Specialize createSPOSetBuilder #29

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williamfgc and others added 26 commits September 6, 2023 10:12
Asses the effort to change this.
Currently without consumers or tests.

Concretize friend class declaration

Define testing::getMyVars for SPOSetT
TODO when implementing derived classes
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
Follow existing pattern for SplineC2C allowing for std::complex<T>
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
Signed-off-by: Steven Hahn <[email protected]>
Reuse SPOSet types
Signed-off-by: Steven Hahn <[email protected]>
Refactor LCAO
Add generic ValueType
Try C++17 if constexpr on floating point type
@williamfgc williamfgc closed this Sep 16, 2023
@williamfgc williamfgc deleted the fix-linking-errors branch October 24, 2023 17:20
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3 participants