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dyzhengdyzheng
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Test: regenerate 099_PW_DJ_SO reference for nspin=4 DFT+U sign fix
The nspin=4 Pauli-to-spin sign swap in cal_occ_pw changes the output of all nspin=4 DFT+U PW tests, including the pre-existing 099_PW_DJ_SO whose result.ref was not updated. Regenerate its etot/force/stress references: etot -5662.3881388456420609 -> -5662.3908859903258417 force 15.774740 -> 17.965510 stress 100840.559090 -> 100582.607209 Without this, the 01_PW integrate suite fails on 099_PW_DJ_SO (etot dev 2.7e-3 eV, force dev -2.19, stress dev 258).
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‎tests/01_PW/099_PW_DJ_SO/result.ref‎

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -1,5 +1,5 @@
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etotref -5662.3881388456420609
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etotperatomref -2831.1940694228
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totalforceref 15.774740
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totalstressref 100840.559090
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etotref -5662.3908859903258417
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etotperatomref -2831.1954429952
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totalforceref 17.965510
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totalstressref 100582.607209
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totaltimeref 1.26

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