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@lkdvos lkdvos commented Sep 18, 2025

This PR contains a bunch of features and fixes that are (somewhat) related to finite temperature simulations.

  • I fixed a δ output not being passed on in approximate calls
  • I improved support for real and complex valued tensors, and mixtures. In particular, by indicating imaginary time evolution explicitly with a flag, it is possible to use real numbers in time-evolution, which was previously not possible.
  • I added various contractions that were missing for working with density matrices.

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codecov bot commented Sep 18, 2025

Codecov Report

❌ Patch coverage is 89.78102% with 14 lines in your changes missing coverage. Please review.

Files with missing lines Patch % Lines
src/operators/mpo.jl 25.00% 6 Missing ⚠️
src/states/infinitemps.jl 71.42% 4 Missing ⚠️
src/algorithms/timestep/tdvp.jl 83.33% 3 Missing ⚠️
src/operators/mpohamiltonian.jl 83.33% 1 Missing ⚠️
Files with missing lines Coverage Δ
src/algorithms/approximate/approximate.jl 100.00% <100.00%> (ø)
src/algorithms/changebonds/svdcut.jl 94.11% <100.00%> (ø)
src/algorithms/expval.jl 88.60% <100.00%> (+2.67%) ⬆️
src/algorithms/timestep/integrators.jl 75.00% <100.00%> (+3.57%) ⬆️
src/algorithms/timestep/taylorcluster.jl 100.00% <100.00%> (ø)
src/algorithms/timestep/time_evolve.jl 100.00% <100.00%> (ø)
src/algorithms/timestep/wii.jl 98.14% <100.00%> (+35.18%) ⬆️
src/operators/jordanmpotensor.jl 82.94% <100.00%> (+1.35%) ⬆️
src/states/finitemps.jl 82.49% <100.00%> (+0.11%) ⬆️
src/states/orthoview.jl 89.68% <100.00%> (+0.33%) ⬆️
... and 5 more

... and 1 file with indirect coverage changes

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@lkdvos lkdvos force-pushed the finite-T branch 2 times, most recently from 1008814 to ed84ddd Compare September 21, 2025 18:19
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@VictorVanthilt VictorVanthilt left a comment

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This is a very welcome addition!!!

@lkdvos lkdvos merged commit f54c85c into main Sep 29, 2025
27 checks passed
@lkdvos lkdvos deleted the finite-T branch September 29, 2025 17:15
lkdvos referenced this pull request Sep 30, 2025
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3 participants