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Fix the repeated initial guess and use diagonal precondition in LR::HSolver; Fix a segfault and non-hermitian in multi-k op_lr_exx #5468

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merged 3 commits into from
Nov 13, 2024

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@maki49 maki49 commented Nov 12, 2024

fix problem 1 in #5376

@maki49 maki49 changed the title Fix the repeated initial guess and use diagonal precondition for Davidson solving LR-TDDFT Fix the repeated initial guess and use diagonal precondition in LR::HSolver; Fix a segfault and non-hermitian in multi-k op_lr_exx Nov 12, 2024
@mohanchen mohanchen merged commit 4f1be57 into deepmodeling:develop Nov 13, 2024
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@mohanchen mohanchen added the EXX and lr-TDDFT Related to EXX, this label is designed only for PeizeLin and Maki49 label Nov 13, 2024
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