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Refactor: Migrate ML KEDF Descriptor Calculation & Output to module_io
#6287
opened Jun 12, 2025 by
sunliang98
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4 tasks
Feature: universal customized parameterization on exchange-correlation functionals
#6270
opened Jun 4, 2025 by
kirk0830
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Refactor: Optimize the code structure of K_Vectors
Refactor
Refactor ABACUS codes
The Absolute Zero
Reduce the "entropy" of the code to 0
#6263
opened Jun 3, 2025 by
Flying-dragon-boxing
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4 tasks
Feature&Doc&Tests: Support for deepks_v_delta=-1&-2
DeePKS
Issues related to the DeePKS
Features Needed
The features are indeed needed, and developers should have sophisticated knowledge
Unit Tests/Integreate Tests
Issues/PR related to unit tests and integrate tests
Feature: Implementations of Range-Separated Hybrid Functionals
EXX and lr-TDDFT
Related to EXX or lr-TDDFT
Features Needed
The features are indeed needed, and developers should have sophisticated knowledge
Refactor
Refactor ABACUS codes
#6220
opened May 16, 2025 by
1041176461
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