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Refactor: make module_lr/AX a general AO-to-MO transformer #5834

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merged 4 commits into from
Jan 9, 2025

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@maki49 maki49 commented Jan 8, 2025

This PR does not add new functions. It only rename the files and make the functions more general (support occupied-occupied and virtual-virtual MO matrices, not only virtual-occupied).

@mohanchen mohanchen merged commit 77bad35 into deepmodeling:develop Jan 9, 2025
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@mohanchen mohanchen added EXX and lr-TDDFT Related to EXX or lr-TDDFT Refactor Refactor ABACUS codes labels Jan 9, 2025
@maki49 maki49 deleted the refactor_ax branch January 13, 2025 07:56
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