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Unify Internal Drivers for RKS and UKS #60

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wavefunction91 opened this issue Aug 8, 2023 · 0 comments · Fixed by #80
Closed

Unify Internal Drivers for RKS and UKS #60

wavefunction91 opened this issue Aug 8, 2023 · 0 comments · Fixed by #80

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@wavefunction91
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The UKS implementation introduced in #59 replicates most of the code used for the RKS integrator. While the user APIs need to be separated (as implemented), the internal implementation can be unified by checking for e.g.-nullptr / zero-dims in the passed data pointers.
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Unify RKS and UKS Implementations wavefunction91/GauXC
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