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Pull requests list

Increase build parallelism from 8 to 16
#7698 opened Jul 27, 2026 by MrLi000001 Loading…
7 tasks
CMake: migrate cuSolverMp feature definitions after #7671
#7697 opened Jul 27, 2026 by Stardust0831 Loading…
7 tasks done
1
Reject distributed matrices in DiagoLapack
#7696 opened Jul 27, 2026 by Growl1234 Loading…
4
CMake: Move global compiler flags to target options
#7695 opened Jul 27, 2026 by Growl1234 Loading…
2
Feature: 3 method for GGA noncollinear spin functional and update of DeltaSpin
#7693 opened Jul 26, 2026 by dyzheng Collaborator Loading…
Feature: fully utilized magnetic space group (MSG) enabling SOC Feature Discussed The features will be discussed first but will not be implemented soon Refactor Refactor ABACUS codes Symmetry This issue is related to symmetry
#7692 opened Jul 25, 2026 by maki49 Collaborator Loading…
16
add 01_PW to GPU CI test suite Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS GPU & DCU & HPC GPU and DCU and HPC related any issues
#7690 opened Jul 25, 2026 by chengleizheng Collaborator Loading…
7 tasks
Fix(input): finalize dependent parameters in dependency order
#7689 opened Jul 25, 2026 by Stardust0831 Loading…
7 tasks done
1
keep cleaning source_cell Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0
#7684 opened Jul 24, 2026 by mohanchen Collaborator Loading…
1
Refactor source_psi, remove some unnecessary dependency Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0
#7675 opened Jul 23, 2026 by mohanchen Collaborator Loading…
Add GPU validation and multinode cuSolverMp smoke Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS GPU & DCU & HPC GPU and DCU and HPC related any issues
#7665 opened Jul 21, 2026 by Stardust0831 • Draft
7 tasks done
9
Libxc: 7.0.0 -> 7.1.2 (toolchain); fix external parameter handling Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS Interfaces Interfaces with other packages
#7655 opened Jul 18, 2026 by Growl1234 Loading…
26
docs: regenerate INPUT parameter docs in RTD build Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes
#7621 opened Jul 12, 2026 by zhubonan Collaborator Loading…
16
Add fixed-cell i-PI socket driver Feature Discussed The features will be discussed first but will not be implemented soon Interfaces Interfaces with other packages Refactor Refactor ABACUS codes
#7609 opened Jul 7, 2026 by Phorbol Loading…
7 tasks done
21
Add atst examples in ASE interfaces examples Interfaces Interfaces with other packages
#7608 opened Jul 7, 2026 by QuantumMisaka Collaborator • Draft
7 tasks done
11
Feat: add PPCG solver for PW diagonalization Diago Issues related to diagonalizaiton methods
#7580 opened Jul 2, 2026 by cheerly-pku Loading…
11
feat(xc): add SCANL meta-GGA functional with FD Laplacian kernel Refactor Refactor ABACUS codes
#7533 opened Jun 28, 2026 by dyzheng Collaborator Loading…
4 tasks
1
perf/Optimize neighbor-list construction with OpenMP project_learning
#7527 opened Jun 26, 2026 by Audrey-777 Loading…
@19hello
1
feat: integrate NEP CUDA kernels into MD runner with complete GPU compute path project_learning
#7526 opened Jun 26, 2026 by lijianing-sudo Loading…
@19hello
Refactor: optimize MD and NEP hot paths with OpenMP-ready loops project_learning
#7518 opened Jun 25, 2026 by Audrey-777 Loading…
9
Feature: Add direct gradient label in DeePKS. Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#7509 opened Jun 23, 2026 by ErjieWu Collaborator • Draft
add move constructor for several classes Feature Discussed The features will be discussed first but will not be implemented soon
#7501 opened Jun 20, 2026 by linpeize Loading…
Fix: add DeePKS V_delta commutator -i[V_delta, r] to rt-TDDFT velocity-gauge current Features Needed The features are indeed needed, and developers should have sophisticated knowledge Refactor Refactor ABACUS codes
#7486 opened Jun 18, 2026 by xuan112358 Collaborator Loading…
@AsTonyshment
4
feat(pw/fft): CPE-DFTI sticks FFT as a factory-selected backend (FFT_SWDFTI) Features Needed The features are indeed needed, and developers should have sophisticated knowledge GPU & DCU & HPC GPU and DCU and HPC related any issues Refactor Refactor ABACUS codes
#7481 opened Jun 17, 2026 by A-006 Collaborator Loading…
@Critsium-xy
8
feat(lcao): auto-recommend nb2d from ScaLAPACK 2D block-cyclic load balance Features Needed The features are indeed needed, and developers should have sophisticated knowledge GPU & DCU & HPC GPU and DCU and HPC related any issues Refactor Refactor ABACUS codes
#7480 opened Jun 17, 2026 by A-006 Collaborator Loading…
@Critsium-xy
8
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