[WIP] Rebase ref-add-SPOSet on latest develop don't merge#4762

Closed

williamfgc wants to merge 32 commits intoQMCPACK:developfrom williamfgc:ref-add-SPOSetT-integration

+41,929-30

Commits on Oct 9, 2023

Implement SPOSetT template class
williamfgc
committed
Mark todo for purely virtual functions
williamfgc
committed
Add FakeSPOT class

quantumsteve
authored and
williamfgc
committed
Revert test_RotatedSPOs.cpp
williamfgc
committed
Reorder specialized function definitions to appease OMP target compilation

PhilipFackler
authored and
williamfgc
committed
Add ConstantSPOSetT
williamfgc
committed
Refactor BsplineSet and SplineC2C
williamfgc
committed
PWOribitalSetT and PWBasisT

PhilipFackler
authored and
williamfgc
committed
Add templated class LCAOrbitalSetT

quantumsteve
authored and
williamfgc
committed
Add templated class LCAOrbitalSetWithCorrectionT

quantumsteve
authored and
williamfgc
committed
Fix LCAOrbitalSetWithCorrectionT. Add SPOSetBuilderT and SoaCuspCorrectionT.

quantumsteve
authored and
williamfgc
committed
Add SHOSetBuilderT

quantumsteve
authored and
williamfgc
committed
Fix PWOrbitalSet alias types
williamfgc
committed
Implement CompositeSPOSetT class

PhilipFackler
authored and
williamfgc
committed
Specialize functions in RotatedSPOsT
williamfgc
committed
Change order of definition
williamfgc
committed
Implement SPOSetBuilderFactoryT and most required builders

PhilipFackler
authored and
williamfgc
committed
Add missing implementation to SPOSetBuilderT

quantumsteve
authored and
williamfgc
committed
Fix failing complex build

quantumsteve
authored and
williamfgc
committed
Add CI to WIP refactoring branch
williamfgc
committed
add SplineR2RT

walshmm
authored and
williamfgc
committed
Further template propagation to fix offload build

PhilipFackler
authored and
williamfgc
committed
first changes

quantumsteve
authored and
williamfgc
committed
fix failing build?

quantumsteve
authored and
williamfgc
committed
fix build

quantumsteve
authored and
williamfgc
committed
Implement SplineC2RTOMPTarget template class

PhilipFackler
authored and
williamfgc
committed
SplineC2COMPTargetT, fix failing build

walshmm
authored and
williamfgc
committed
add missing particlesetT

walshmm
authored and
williamfgc
committed
Refactored everything needed for test_RotatedSPOsT

PhilipFackler
authored and
williamfgc
committed
Add new bits to RotatedSPOsT

PhilipFackler
authored and
williamfgc
committed
Bugfix: removed QMC_COMPLEX conditions where no longer needed

PhilipFackler
authored and
williamfgc
committed
Accomodate new refactored headers
williamfgc
committed

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[WIP] Rebase ref-add-SPOSet on latest develop don't merge#4762

Commits on Oct 9, 2023

Implement SPOSetT template class

Mark todo for purely virtual functions

Add FakeSPOT class

Revert test_RotatedSPOs.cpp

Reorder specialized function definitions to appease OMP target compilation

Add ConstantSPOSetT

Refactor BsplineSet and SplineC2C

PWOribitalSetT and PWBasisT

Add templated class LCAOrbitalSetT

Add templated class LCAOrbitalSetWithCorrectionT

Fix LCAOrbitalSetWithCorrectionT. Add SPOSetBuilderT and SoaCuspCorrectionT.

Add SHOSetBuilderT

Fix PWOrbitalSet alias types

Implement CompositeSPOSetT class

Specialize functions in RotatedSPOsT

Change order of definition

Implement SPOSetBuilderFactoryT and most required builders

Add missing implementation to SPOSetBuilderT

Fix failing complex build

Add CI to WIP refactoring branch

add SplineR2RT

Further template propagation to fix offload build

first changes

fix failing build?

fix build

Implement SplineC2RTOMPTarget template class

SplineC2COMPTargetT, fix failing build

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