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refactor: migrate core logic of work function calculation to abacustest#104

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pxlxingliang merged 1 commit intodeepmodeling:developfrom
ahxbcn:migrate_workfunction
Jan 27, 2026
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refactor: migrate core logic of work function calculation to abacustest#104
pxlxingliang merged 1 commit intodeepmodeling:developfrom
ahxbcn:migrate_workfunction

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@ahxbcn ahxbcn commented Jan 27, 2026

Migrade core logic of work function calculation to abacustest.

  • An 'auto' mode for identifying vacuum direction in given structure is added.
  • Plot for averaged electrostatic potental are updated. Fermi energy and work function of all plateaus are on the plot now.
  • Data used in the plot of averaged electrostatic potential are dumped to a file and returned.

@pxlxingliang pxlxingliang merged commit 78e415d into deepmodeling:develop Jan 27, 2026
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@ahxbcn ahxbcn deleted the migrate_workfunction branch February 27, 2026 04:10
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