Refactor: generalize the transition density matrix in module_lr #5852
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maki49
commented
Jan 12, 2025
maki49
commented
- support occupied-occupied, virtual-virtual MOs
- support any factor, not only 1/nk
mohanchen
approved these changes
Jan 13, 2025
mohanchen
added
EXX and lr-TDDFT
Fisherd99
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to Fisherd99/abacus-BSE
that referenced
this pull request
Mar 31, 2025
…modeling#5852) * generalize dm_trans * pass factor instead of bool renorm_k * fix bug * update UT
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