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Refactor: simplify snap_psibeta_half_tddft.cpp#6846

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mohanchen merged 3 commits into
deepmodeling:developfrom
dzzz2001:simplify-code
Jan 13, 2026
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Refactor: simplify snap_psibeta_half_tddft.cpp#6846
mohanchen merged 3 commits into
deepmodeling:developfrom
dzzz2001:simplify-code

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@dzzz2001 dzzz2001 commented Jan 9, 2026

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This PR simplifies the code in snap_psibeta_half_tddft.cpp(revert some optimizations in the previous PR that did not actually provide any speedup)

@dzzz2001 dzzz2001 changed the title Simplify snap_psibeta_half_tddft.cpp Refactor: simplify snap_psibeta_half_tddft.cpp Jan 9, 2026
@mohanchen mohanchen added the Refactor Refactor ABACUS codes label Jan 10, 2026
The Polynomial_Interpolation function expects table_interval (dk) as the parameter,
not its inverse. The function computes position = x / table_interval internally.
This fixes the 05_rtTDDFT test failures.
@mohanchen
mohanchen merged commit f7deafc into deepmodeling:develop Jan 13, 2026
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@dzzz2001
dzzz2001 deleted the simplify-code branch May 13, 2026 14:00
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