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Improve eigenstates#34

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johannes-moegerle merged 7 commits intomainfrom
improve-eigenstates
Jan 7, 2026
Merged

Improve eigenstates#34
johannes-moegerle merged 7 commits intomainfrom
improve-eigenstates

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@johannes-moegerle
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@frederic-atom
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I like what you did here, in principle. It ensures the desired behavior for database generation.
I have a minor concern: The _mroots function naming suggest that a user won't access this function, but it's crucial for mroots. Should we find better names for at least on of the two functions?
And I have a major concern: What if, let's say for research purposes, I want to output eigenstates for a model outside the intended bounds? I think this is a very important feature, but with this MR we would lose that, right?

@johannes-moegerle
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I have a minor concern: The _mroots function naming suggest that a user won't access this function, but it's crucial for mroots. Should we find better names for at least on of the two functions?

actually we dont need the _mroots function at all, we can put everything in the mroots with N1-N2 and for mroots(N) just call mroots(N-05, N+0.5)

And I have a major concern: What if, let's say for research purposes, I want to output eigenstates for a model outside the intended bounds? I think this is a very important feature, but with this MR we would lose that, right?

I agree that this might be useful, so I added a keyword argument overwrite_model_limits to the eigenstates function

@johannes-moegerle johannes-moegerle merged commit df4e47d into main Jan 7, 2026
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@johannes-moegerle johannes-moegerle deleted the improve-eigenstates branch January 7, 2026 07:42
@johannes-moegerle johannes-moegerle restored the improve-eigenstates branch January 7, 2026 07:43
@johannes-moegerle johannes-moegerle deleted the improve-eigenstates branch January 7, 2026 07:43
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3 participants