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phonopy: Add versions 4.8.2, 4.8.3 - #2848
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October 10, 2026 07:37
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October 12, 2026 12:01
test_thermal_properties_at_low_temperature_c_matches_python fails on all four interpreters with a 1.2e-10 relative gap in the free energy, against an rtol of 1e-10. The gap is a constant offset in the zero-point energy: the C path adds a ZPE that counts every mode with f > 0, the Rust path counts only f > cutoff_frequency (1e-5 THz here). The Gamma acoustic modes are eigenvalue noise of order 1e-7 THz, so whether and how much they cross the gap depends on the platform's diagonalisation; with upstream's own x86_64 wheel the same test sits at 5.6e-11. Signed-off-by: Ludovic Henry <git@ludovic.dev>
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Automatically generated by the nightly
check_versions.pyrun.phonopy v4.8.1 -> v4.8.2, v4.8.3
Every
- version:entry added todocs/packages/phonopy.yamlis built by this PR's ownbuild-phonopy.ymlrun; merging publishes the wheels.