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TRIQS
dftkit
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[test] Add spin-orbit + spin-polarized Wien2k converter test (CaOs2)
- #4
#4
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the-hampel
merged 7 commits into
TRIQS:unstable
TRIQS/dftkit:unstable
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krystophny:port/dmftproj-soc-harness
krystophny/dftkit:port/dmftproj-soc-harness
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Oct 9, 2026
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[test] Add spin-orbit + spin-polarized Wien2k converter test (CaOs2)
#4
the-hampel
merged 7 commits into
TRIQS:unstable
TRIQS/dftkit:unstable
from
krystophny:port/dmftproj-soc-harness
krystophny/dftkit:port/dmftproj-soc-harness
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Commits
Commits on Sep 10, 2026
[test] add spin-orbit + spin-polarized Wien2k converter golden test (CaOs2)
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Commits on Oct 8, 2026
Merge upstream unstable into SOC converter harness
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Regenerate CaOs2 SOC fixture with a full-rank correlated window
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Preserve cubic basis and strengthen SOC symmetry invariants
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[test] Compare the CaOs2 SOC archive at 1e-12 without h5diff
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[test] Cover convert_parproj_input in the CaOs2 SOC converter test
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Reject scalar broadcasting in SOC archive comparison
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