[Refactor] Remove redundant real2recip#7228
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mohanchen merged 1 commit intodeepmodeling:developfrom Apr 10, 2026
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Pull request overview
Removes a redundant FFT (real2recip) that was being executed when outputting charge density to .cube, addressing unnecessary work during charge output.
Changes:
- Delete the
pw_rhod->real2recip(chr.rho_save[is], chr.rhog_save[is]);call in the charge-density cube output path.
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mohanchen
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Refactor
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Linked Issue
Refs #7224
What's changed?
real2recipinsource/source_io/module_ctrl/ctrl_output_fp.cpp.