Add subspace diagonalization for orthogonal input#6539
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mohanchen
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Sep 29, 2025
…eling#6548) * Use new mtblas library * Update annotations * Modify fft
* Rename dngvd to hegvd, add comment & docs * Update hegvd_op docs * Rename source files * Change dngv/dnev to hegv/heev in source * Rename pyabacus dngvd
* add esolver_of_tddft * esolver_of_tddft cmakelist * move memeber function of esolver_of_tddft to module_ofdft * fix bug (confuse evolve_psi with evolve_phi) * change evolve_phi with evolve_ofdft; change to vector * details * code optimization * add situation of reading charge file for tdofdft --------- Co-authored-by: Liang Sun <50293369+sunliang98@users.noreply.github.com>
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Linked Issue
Fix #5615
Description
diagH_subspaceis used inhsolverto do a diagonalization in the subspace spanned by given psi vectors.