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Feature: update LibRI v0.2.0#4830

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mohanchen merged 12 commits intodeepmodeling:developfrom
PeizeLin:LibRI_loop3
Aug 15, 2024
Merged

Feature: update LibRI v0.2.0#4830
mohanchen merged 12 commits intodeepmodeling:developfrom
PeizeLin:LibRI_loop3

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@PeizeLin
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LibRI has been updated to v0.2.0, whose interface is not backward compatible.
This is the update to the calling interface.

@PeizeLin PeizeLin changed the title LibRI v0.2.0 Feature: update LibRI v0.2.0 Jul 29, 2024
@mohanchen mohanchen added the Features Needed The features are indeed needed, and developers should have sophisticated knowledge label Jul 30, 2024
@mohanchen mohanchen added EXX and lr-TDDFT Related to EXX or lr-TDDFT and removed Features Needed The features are indeed needed, and developers should have sophisticated knowledge labels Aug 2, 2024
@QuantumMisaka
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@PeizeLin Any Update ?
Toolchain 2024.2 is ongoing, I'm looking forward to using the newest LibRI

@QuantumMisaka QuantumMisaka mentioned this pull request Aug 10, 2024
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@maki49
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maki49 commented Aug 14, 2024

I think this PR is ready to merge.

@mohanchen mohanchen merged commit d093c58 into deepmodeling:develop Aug 15, 2024
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4 participants