Add new eigh method and phi alignment loss - #14

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xuan112358 merged 3 commits into

MCresearch:developfrom

xuan112358:psi_alignment

Oct 27, 2025

Commits on Oct 24, 2025

use trans_matrix instead of L_inv, modify generalized_eigh accordingly
xuan112358
committed
7c77176

Commits on Oct 27, 2025

Add a new eigh_method by setting eigh_method as 2. It can enhance the precision in computing smaller eigenvalues
xuan112358
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b864680
Add phi alignment loss. Set phi_align_factor and phi_align_occ to use it.
xuan112358
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168d1b1