More variable names for EOM properties. Required infrastructure changes #2538
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lothian
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Apr 8, 2022
loriab
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Apr 8, 2022
maxscheurer
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Apr 8, 2022
zachglick
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Apr 18, 2022
…es (psi4#2538) * More variable names for EOM properties. Required infrastructure changes * How did clang even compile this before
zachglick
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Apr 18, 2022
…es (psi4#2538) * More variable names for EOM properties. Required infrastructure changes * How did clang even compile this before
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Description
This PR adds support for the remaining access patterns for EOM oscillator strengths and einstein coefficients.
The pieces are now in place to adapt densities and multipoles as well. I'm hopeful that will be the next PR, which should be enough to get 3 of the 4 remaining cc tests ported over.
Todos
ccdensityandcceomnow require an incomingCCEnergyWavefunctionCCEnergyWavefunctionnow has a field to store excited state symmetry labelscceominternal vars to new standardChecklist
eomctests passStatus