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Feature: output mat of <phi|r|phi> with get_S #5611

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Merged
merged 1 commit into from
Nov 27, 2024
Merged

Feature: output mat of <phi|r|phi> with get_S #5611

merged 1 commit into from
Nov 27, 2024

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@dyzheng dyzheng commented Nov 26, 2024 •
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Fix #5616
This PR comes from a user, waiting for a related Issue.

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@dyzheng dyzheng marked this pull request as draft November 26, 2024 08:52
@mohanchen mohanchen added the Features Needed The features are indeed needed, and developers should have sophisticated knowledge label Nov 26, 2024
@dyzheng dyzheng marked this pull request as ready for review November 27, 2024 09:08
@dyzheng dyzheng mentioned this pull request Nov 27, 2024
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@mohanchen mohanchen merged commit f084d42 into deepmodeling:develop Nov 27, 2024
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Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
@dyzheng @Fisherd99
Feature: output mat of <phi|r|phi> with get_S (deepmodeling#5611)
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@mohanchen mohanchen mohanchen approved these changes

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Features Needed The features are indeed needed, and developers should have sophisticated knowledge

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request the function of output dipol matrix while using get_S command

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@dyzheng @mohanchen