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Pull requests list

Add PPCG iterative diagonalization solver to source/source_hsolver/.
#7404 opened May 30, 2026 by Silver-Moon-Over-Snow Loading…
Fix/conflict resolution
#7403 opened May 30, 2026 by Missing-Hex Loading…
3 tasks
feat: optimize MPI communication with non-blocking operations in eigenvalue solvers
#7401 opened May 30, 2026 by laoba657 Loading…
fix:add OpenMP parallelization to BPCG CPU kernel band loops (assisted with Deepseek V4)
#7400 opened May 30, 2026 by Missing-Hex Loading…
Formatting files in /source/source_hamilt/module_xc Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0
#7399 opened May 29, 2026 by mohanchen Collaborator Loading…
A simple try assisted with GPT : nonblocking gather/scatter exchanges project_learning Tests/Examples Issues/PR related to unit tests and integrate tests
#7396 opened May 29, 2026 by mystic-qaq Loading…
1
perf(gint): shape-exact bucketing + tile ladder + wide-LDS vbatched GEMM
#7395 opened May 29, 2026 by dzzz2001 Collaborator • Draft
2 of 4 tasks
Refactor: convert ia-it nested loops to iat flat loops with OpenMP in ESolver_DP Feature Discussed The features will be discussed first but will not be implemented soon project_learning
#7394 opened May 29, 2026 by chengleizheng Loading…
Pexsi stage4 pattern reuse opt Feature Discussed The features will be discussed first but will not be implemented soon Refactor Refactor ABACUS codes
#7392 opened May 29, 2026 by JohnHe233 Loading…
4 tasks done
4
Feature: velocity matrix correction for meta-gga xc functionals Features Needed The features are indeed needed, and developers should have sophisticated knowledge Refactor Refactor ABACUS codes
#7391 opened May 28, 2026 by Flying-dragon-boxing Collaborator Loading…
6
Parallelize neighbor list construction with OpenMP Features Needed The features are indeed needed, and developers should have sophisticated knowledge Large Systems Issues related to large-size systems Refactor Refactor ABACUS codes
#7390 opened May 28, 2026 by 19hello Collaborator Loading…
4 tasks
2
[Refactor] Organize cleans of source_base and clean source_psi's dependency Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0
#7386 opened May 27, 2026 by Critsium-xy Collaborator • Draft
1
Feature: DeltaSpin for LCAO and PW base and DFTU for PW, both collinear and noncollinear spin (code change and UTs)
#7384 opened May 26, 2026 by dyzheng Collaborator Loading…
4 tasks
31
Update the output of OFDFT, particularly for the ML part Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0
#7383 opened May 26, 2026 by mohanchen Collaborator Loading…
3
Add optional DFT-D4 support Features Needed The features are indeed needed, and developers should have sophisticated knowledge Interfaces Interfaces with other packages Refactor Refactor ABACUS codes
#7380 opened May 24, 2026 by Growl1234 Loading…
18
Fix: use correct \psi for GPU in cal_tau for ELF GPU & DCU & HPC GPU and DCU and HPC related any issues Refactor Refactor ABACUS codes
#7378 opened May 23, 2026 by Flying-dragon-boxing Collaborator Loading…
2
feat: implement mixed-precision eigensolver for CG and Davidson methods Feature Discussed The features will be discussed first but will not be implemented soon project_learning Refactor Refactor ABACUS codes
#7377 opened May 23, 2026 by laoba657 Loading…
4 tasks
23
[LTS] Skip precommit for CI and add missing hint Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#7372 opened May 21, 2026 by Growl1234 Loading…
6
fix(nupdown): only set two_fermi when nupdown is non-zero Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes
#7371 opened May 21, 2026 by dyzheng Collaborator Loading…
4 tasks
1
Add the framework of DFPT in plane wave basis DFPT Density Functional Perturbation Theory
#7356 opened May 18, 2026 by mohanchen Collaborator Loading…
Electrostatic correction of Makov-Payne type Features Needed The features are indeed needed, and developers should have sophisticated knowledge Refactor Refactor ABACUS codes
#7354 opened May 18, 2026 by kluonju Loading…
6
Refactor: move exx files
#7352 opened May 17, 2026 by linpeize Loading…
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