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Pull requests: deepmodeling/abacus-develop
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Fix: forbit setting of nspin=4 without noncolin and lspinorb
#5650
opened Nov 29, 2024 by
dyzheng
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4 tasks
Refactor: Remove bpcg dependency on Psi and Hamilt
The Absolute Zero
Reduce the "entropy" of the code to 0
#5643
opened Nov 28, 2024 by
Cstandardlib
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Refactor:Remove GlobalC::ucell in the module_surchem
The Absolute Zero
Reduce the "entropy" of the code to 0
#5641
opened Nov 28, 2024 by
A-006
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refactor: move parallel_2d to module_base
Refactor
Refactor ABACUS codes
#5625
opened Nov 27, 2024 by
pxlxingliang
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4 tasks
Build(deps): Bump codecov/codecov-action from 4 to 5
Compile & CICD & Docs & Dependencies
Issues related to compiling ABACUS
#5590
opened Nov 25, 2024 by
dependabot
bot
•
Draft
feature: parallel solve subspace diagonalization in dav_subspace
Diago
Issues related to diagonalizaiton methods
#5549
opened Nov 21, 2024 by
pxlxingliang
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4 tasks
A noncollinear functional ensemble based on multi-collinear approach
Features Needed
The features are indeed needed, and developers should have sophisticated knowledge
#5542
opened Nov 20, 2024 by
YuleZhang936
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Implement a new BFGS optimizer, used for geometry relaxation
Features Needed
The features are indeed needed, and developers should have sophisticated knowledge
GeometryRelaxation
Issues related to geometry relaxation
Refactor
Refactor ABACUS codes
#5467
opened Nov 12, 2024 by
19hello
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4 tasks
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