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Add Radial and S2 Generators #91

Merged
merged 6 commits into from
Dec 3, 2023
Merged

Add Radial and S2 Generators #91

merged 6 commits into from
Dec 3, 2023

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wavefunction91
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  • Adds and tests RadialFactory for runtime generation of radial quadratures
  • Adds and test S2Factory for runtime generation of angular quadratures
  • Moved npts into RadialTraits and refactors RadialTransform and the runtime spherical generators to accept RadialTraits as the fundamental input. Forward looking to Lindh-Malmqvist-Gagliardi Radial Grid #84 where npts is not a fundamental input but rather a derived parameter.

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@susilehtola Does this provide what you need?

susilehtola
susilehtola approved these changes Dec 3, 2023
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Looks reasonable

@wavefunction91 wavefunction91 merged commit cd7c13a into master Dec 3, 2023
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@wavefunction91 wavefunction91 deleted the feature/rad_s2_generators branch December 3, 2023 15:30
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@susilehtola susilehtola susilehtola approved these changes

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