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Fix: Update function calls in pyabacus to align with new function signature in hpsi_func #5176

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merged 3 commits into from
Sep 26, 2024
Merged

Fix: Update function calls in pyabacus to align with new function signature in hpsi_func #5176

merged 3 commits into from
Sep 26, 2024

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@a1henu a1henu commented Sep 26, 2024

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  • Have you linked an issue with this pull request?
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Linked Issue

Fix #5175

What's changed?

In pull request #3134, the function signature in hpsi_func has changed, leading to the pyabacus::hsolver failures. This pull request fix it

@mohanchen mohanchen added Features Needed The features are indeed needed, and developers should have sophisticated knowledge Bugs Bugs that only solvable with sufficient knowledge of DFT and removed Features Needed The features are indeed needed, and developers should have sophisticated knowledge labels Sep 26, 2024
@mohanchen mohanchen merged commit 3b2e5ad into deepmodeling:develop Sep 26, 2024
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@mohanchen mohanchen mohanchen approved these changes

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pyabacus::hsolver failed due to changes of the order of [in\out] parameters in hpsi_func
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