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Feature: Input and output vector potential in tddft calculation #4173

Merged
merged 27 commits into from
May 25, 2024
Merged

Feature: Input and output vector potential in tddft calculation #4173

merged 27 commits into from
May 25, 2024

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ESROAMER
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Add feature requested by issue #3845

What's changed?

I add some function and two input parameters to allow the user to init vector potential A(t) from file "At.dat" or to output A(t) into file "OUT.suffix/At.dat" .

@mohanchen mohanchen added the Features Needed The features are indeed needed, and developers should have sophisticated knowledge label May 23, 2024
@mohanchen mohanchen merged commit 7843f32 into deepmodeling:develop May 25, 2024
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@ESROAMER ESROAMER deleted the outA branch May 27, 2024 08:20
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