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Pull requests: deepmodeling/abacus-develop

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Pull requests list

Refactor: Remove obsolete cross-device copy constructor in HamiltPW
#7418 opened Jun 1, 2026 by AsTonyshment Collaborator Loading…
混合精度 CG 特征值求解器的初步实现尝试
#7417 opened May 31, 2026 by Absolutely-Daisy Loading…
refactor:add parallelization optimization to bpcg
#7416 opened May 31, 2026 by Missing-Hex Loading…
4 tasks
feat(task356, task3): implement MPI-IO parallel cube file write
#7415 opened May 31, 2026 by xiaoxuPekingUniversity Loading…
4 tasks
16
feat: add PPCG eigenvalue solver implementation
#7414 opened May 31, 2026 by OIerwsq Loading…
4 tasks
9
Refine complex buffer copies and add round-trip tests for module_pw project_learning
#7412 opened May 30, 2026 by Aunixt Loading…
3 of 4 tasks
7
refactor: extract MD statistics as pure functions project_learning
#7411 opened May 30, 2026 by lijianing-sudo Loading…
4 tasks done
1
add generalized eigenvalue test for diago_cg_float_test project_learning
#7408 opened May 30, 2026 by kevin0x3f Loading…
4 tasks
7
Add experimental PW LOBPCG eigensolver project_learning
#7406 opened May 30, 2026 by amadeus725 Loading…
7
add ppcg method project_learning
#7405 opened May 30, 2026 by liuylhlw-lab Loading…
1
Add PPCG iterative diagonalization solver to source/source_hsolver/. project_learning
#7404 opened May 30, 2026 by Silver-Moon-Over-Snow Loading…
2
feat: optimize MPI communication with non-blocking operations in eigenvalue solvers Diago Issues related to diagonalizaiton methods project_learning
#7401 opened May 30, 2026 by laoba657 Loading…
2
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…
12
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…
2
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…
4
Pexsi stage4 pattern reuse opt Feature Discussed The features will be discussed first but will not be implemented soon project_learning Refactor Refactor ABACUS codes
#7392 opened May 29, 2026 by JohnHe233 Loading…
4 tasks done
5
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…
8
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
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
ProTip! Updated in the last three days: updated:>2026-05-29.