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Pull requests: deepmodeling/abacus-develop

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Pull requests list

Feature: output mat of <phi|r|phi> with get_S Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#5611 opened Nov 26, 2024 by dyzheng • Draft
4 tasks
Refactor: remove #include hsolver.h The Absolute Zero Reduce the "entropy" of the code to 0
#5609 opened Nov 26, 2024 by haozhihan Loading…
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 Loading…
ignoring files/directories starting with Lib in the deps directory Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS EXX and lr-TDDFT Related to EXX or lr-TDDFT
#5574 opened Nov 22, 2024 by BariumOxide13716 Loading…
4 tasks
3
refactor: modify the default return value of warning quit to 1 Refactor Refactor ABACUS codes
#5556 opened Nov 21, 2024 by pxlxingliang Loading…
4 tasks
1
1
feature: parallel solve subspace diagonalization in dav_subspace Diago Issues related to diagonalizaiton methods
#5549 opened Nov 21, 2024 by pxlxingliang Loading…
4 tasks
1
16
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 Loading…
6
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 Loading…
4 tasks
48
add RDMFT(Reduced Density Matrix Functional Theory) code Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#5325 opened Oct 22, 2024 by JGHan7 Loading…
135
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