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More state functionality#294

Merged
johannes-moegerle merged 3 commits intopairinteraction:masterpairinteraction/pairinteraction:masterfrom
johannes-moegerle:more-state-functionalityjohannes-moegerle/pairinteraction:more-state-functionalityCopy head branch name to clipboard
Aug 29, 2025
Merged

More state functionality#294
johannes-moegerle merged 3 commits intopairinteraction:masterpairinteraction/pairinteraction:masterfrom
johannes-moegerle:more-state-functionalityjohannes-moegerle/pairinteraction:more-state-functionalityCopy head branch name to clipboard

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@johannes-moegerle
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@johannes-moegerle johannes-moegerle commented Aug 13, 2025

Make it possible to create superpositions of single atom states.

This should then look something like:

state1 = pi.StateAtom(ket1, basis)
# Alternatively, you can use:
# state1 = basis.get_corresponding_state(ket) 

state2 = pi.StateAtom(ket2, basis)

state_plus = (state1 + state2).normalize()

(For pair states this is more complicated, and thus postponed to the future)

@johannes-moegerle johannes-moegerle force-pushed the more-state-functionality branch from 7fdaee8 to d5641ad Compare August 13, 2025 17:59
@hmenke
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hmenke commented Aug 14, 2025

Is it possible to do something like this?

state_plus = (cos(alpha)*state1 + 1j*sin(alpha)*state2).normalize()

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johannes-moegerle commented Aug 14, 2025

Is it possible to do something like this?

state_plus = (cos(alpha)*state1 + 1j*sin(alpha)*state2).normalize()

to have complex numbers one of course has to use import pairinteraction.complex as pi
but then this works:

alpha = np.pi / 4
print((np.cos(alpha) * state1 + 1j * np.sin(alpha) * state2).normalize())
# output: StateAtom(0.71+0.00j |Sr88_singlet:60,59_59,58⟩ + 0.00+0.71j |Sr88_singlet:60,58_58,58⟩)

@seweber seweber mentioned this pull request Aug 25, 2025
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@johannes-moegerle johannes-moegerle force-pushed the more-state-functionality branch 2 times, most recently from 280e81b to 0f0ca4a Compare August 27, 2025 13:55
seweber
seweber requested changes Aug 28, 2025
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src/pairinteraction/_wrapped/state/state_atom.py Outdated Show resolved Hide resolved
src/pairinteraction/_wrapped/state/state_atom.py Outdated Show resolved Hide resolved
src/pairinteraction/_wrapped/state/state_atom.py Show resolved Hide resolved
src/cpp/src/basis/Basis.cpp Outdated Show resolved Hide resolved
@johannes-moegerle johannes-moegerle force-pushed the more-state-functionality branch from 0f0ca4a to 7dbdfe1 Compare August 29, 2025 07:40
@seweber seweber force-pushed the more-state-functionality branch from 7dbdfe1 to a45c058 Compare August 29, 2025 12:28
@seweber seweber self-requested a review August 29, 2025 12:29
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sonarqubecloud bot commented Aug 29, 2025

Quality Gate Passed Quality Gate passed

Issues
0 New issues
0 Accepted issues

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0 Security Hotspots
0.0% Coverage on New Code
0.0% Duplication on New Code

See analysis details on SonarQube Cloud

@johannes-moegerle johannes-moegerle merged commit 51dea08 into pairinteraction:master Aug 29, 2025
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@johannes-moegerle johannes-moegerle deleted the more-state-functionality branch August 29, 2025 13:02
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@johannes-moegerle @hmenke @seweber
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