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Feature: output vacuum level when output electrostatic potential #4799

Merged
merged 6 commits into from
Jul 27, 2024
Merged

Feature: output vacuum level when output electrostatic potential #4799

merged 6 commits into from
Jul 27, 2024

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YuLiu98
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@YuLiu98 YuLiu98 commented Jul 26, 2024

Unit Tests and/or Case Tests for my changes

  • A unit test is added for outputting vacuum level

What's changed?

  • output vacuum level when output electrostatic potential

@YuLiu98 YuLiu98 requested a review from Qianruipku July 26, 2024 04:10
@kirk0830
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will make it feasible to calculcate workfunction, nice

mohanchen
mohanchen reviewed Jul 26, 2024
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@mohanchen mohanchen added the Features Needed The features are indeed needed, and developers should have sophisticated knowledge label Jul 26, 2024
@mohanchen mohanchen merged commit 5c0f0d5 into deepmodeling:develop Jul 27, 2024
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@YuLiu98 YuLiu98 deleted the fermi_shift branch July 29, 2024 01:51
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@mohanchen mohanchen mohanchen approved these changes

@Qianruipku Qianruipku Awaiting requested review from Qianruipku

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@YuLiu98 @kirk0830 @mohanchen