Insert of coupling_rescale in wide_band_bath_discretisation.jl #42
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Introduction of the keyword 'coupling_rescale' in 'fillbathcouplings!' and 'setcoupling!'
Introduction of 'coupling_rescale' keyword in the struct 'AndersonHolstein' as well as optional keyword in the function AndersonHolstein with the default value 1.0
Introduction of the keyword 'coupling_rescale' into fillbathcouplings!
reinimaurer1
commented
Sep 20, 2024
| @@ -8,19 +8,19 @@ function fillbathstates!(out::Hermitian, bath::WideBandBathDiscretisation) | |||
| copy!(diagonal, bath.bathstates) | |||
| end | |||
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| function fillbathcoupling!(out::Hermitian, coupling::Real, bath::WideBandBathDiscretisation) | |||
| function fillbathcoupling!(out::Hermitian, coupling::Real, bath::WideBandBathDiscretisation, coupling_rescale) | |||
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do you want to have coupling_rescale in fillbathcoupling! and setcoupling! as an optional keyword? there might be some use cases where these functions might be needed without.
also, we will probably at some point need multiple despatch for these as we will have scenarios where the coupling isn't a global real constant. Therefore, I recommend specifically setting the type to Real already here and in the other similar functions.
reinimaurer1
commented
Sep 20, 2024
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| NQCModels.DiabaticModels.fillbathstates!(out, bath) | ||
| @test all(out[diagind(out)[2:end]] .== bath.bathstates) | ||
| NQCModels.DiabaticModels.fillbathcoupling!(out, 1.0, bath) | ||
| NQCModels.DiabaticModels.fillbathcoupling!(out, 1.0, bath, coupling_rescale) |
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now you are only testing if the functions run WITH the optional keyword set. you should also have a test where this isn't set.
reinimaurer1
commented
Sep 20, 2024
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Introduction of the keyword 'coupling_rescale' in 'fillbathcouplings!', 'setcoupling!' and in NewnsAnderson models. This allows the coupling in a 2x2 'model' to be rescaled such that the discretized NAH has the same ground state energy landscape as the 2x2 'model'.
For now, this optional coupling_rescale parameter will be a global scalar, but in the future, we will change this to a coordinate-dependent scaling function.