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@maki49 maki49 commented Oct 18, 2024

then LR-TDDFT can always use nspin=1 for transition density matrix, no matter what PARAM.inp.nspin is.

@mohanchen mohanchen merged commit 7fdb1a3 into deepmodeling:develop Oct 18, 2024
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@mohanchen mohanchen added the Refactor Refactor ABACUS codes label Oct 18, 2024
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
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