Update postprocess of work function results#66
Update postprocess of work function results#66ahxbcn wants to merge 5 commits intopxlxingliang:developfrom
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ahxbcn
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Feb 3, 2026
- Allow to provide vacuum direction in postprocess of workfunction model.
- Allow to postprocess work function results from individual ABACUS jobs.
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✨ Finishing touches🧪 Generate unit tests (beta)
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The unit of slope used in finding plateaus in averaged electrostatic potential are changed from eV/fractional coords to eV/Angstrom to get better results for large vacuum. |