Commit History
23 days ago
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fix(mptrj): restore stress tensor component order
Verified signatureThe export wrote the true upper triangle (xx, xy, xz, yy, yz, zz) into the Voigt slots (xx, yy, zz, yz, xz, xy). This rewrites every stress as the true symmetric tensor. Verified: cubic-space-group structures are now exactly isotropic (118/118, previously 0), and all 1,580,395 records are otherwise bit-identical to the previous revision.fe0a935
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