Skip to content

Pull requests: deepmodeling/abacus-develop

New pull request New
27 Open 4,637 Closed
27 Open 4,637 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Assigned to nobody Loading
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

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
Refactor MD setup for pre-parallel cleanup project_learning
#7410 opened May 30, 2026 by Audrey-777 Loading…
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…
2
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
Fix/conflict resolution project_learning
#7403 opened May 30, 2026 by Missing-Hex Loading…
3 tasks
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…
1
fix:add OpenMP parallelization to BPCG CPU kernel band loops (assisted with Deepseek V4) Diago Issues related to diagonalizaiton methods project_learning Refactor Refactor ABACUS codes
#7400 opened May 30, 2026 by Missing-Hex Loading…
1
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…
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…
2
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…
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
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…
ProTip! Updated in the last three days: updated:>2026-05-27.