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Fix : segmentation fault when deepks_scf=0 but deepks_out_labels=1 #5090

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merged 2 commits into from
Sep 13, 2024
Merged

Fix : segmentation fault when deepks_scf=0 but deepks_out_labels=1 #5090

merged 2 commits into from
Sep 13, 2024

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xuan112358
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Fix #5052
In case of no deepks_scf but out_deepks_label, size of DMR would mismatch with deepks-orbitals

@xuan112358 xuan112358 requested a review from dyzheng September 12, 2024 13:19
@mohanchen mohanchen merged commit 548ac3c into deepmodeling:develop Sep 13, 2024
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@mohanchen mohanchen added the Bugs Bugs that only solvable with sufficient knowledge of DFT label Sep 13, 2024
@xuan112358 xuan112358 deleted the fix_deepks_out_labels branch September 13, 2024 12:09
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@mohanchen mohanchen mohanchen approved these changes

@dyzheng dyzheng Awaiting requested review from dyzheng

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Segmentation fault when deepks_out_labels 1
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