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Pull requests list

Fix an out-of-bound read in XC module at dft_functional=HF
#7837 opened Aug 18, 2026 by maki49 Collaborator Loading…
1
2
CMake: build serial unit tests without MPI
#7836 opened Aug 18, 2026 by Stardust0831 Collaborator Loading…
Fix INPUT availability for diag_subspace
#7835 opened Aug 18, 2026 by Stardust0831 Collaborator Loading…
Fix: LCAO nspin=2/4 density-matrix chain (DMK -> DMR), the SOC nonlocal force/stress path, and the force/stress contraction tests
#7833 opened Aug 18, 2026 by dyzheng Collaborator Loading…
7 tasks
1
Fix: revert #7664 $m_y$ convention
#7832 opened Aug 18, 2026 by maki49 Collaborator Loading…
1
5
Re-implement DFT-D3 against the s-dftd3 reference
#7830 opened Aug 18, 2026 by Growl1234 Loading…
1
Fix 007_PW_UPF201_USPP_Fe in 01_PW: G=0 indexing in nspin=2 mixing inner products Bugs Bugs that only solvable with sufficient knowledge of DFT
#7825 opened Aug 15, 2026 by chengleizheng Collaborator Loading…
1
Fix(pw): correct atom index in non-collinear non-local stress on GPU Bugs Bugs that only solvable with sufficient knowledge of DFT Long-Time Support (LTS) Issues related to LTS version Refactor Refactor ABACUS codes
#7819 opened Aug 14, 2026 by dyzheng Collaborator Loading…
7 tasks
fix(gpu): guard qq synchronization without projectors Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes
#7816 opened Aug 14, 2026 by GenZeal-Lin Loading…
1
Parallel MD Features Needed The features are indeed needed, and developers should have sophisticated knowledge Refactor Refactor ABACUS codes
#7812 opened Aug 13, 2026 by 19hello Collaborator Loading…
7 tasks done
vdW-D4: Switch to smooth cutoff Feature Discussed The features will be discussed first but will not be implemented soon Refactor Refactor ABACUS codes
#7810 opened Aug 13, 2026 by Growl1234 Loading…
14
Remove GlobalC::exx_info entirely, refactor ESolver, add esolver_refactor.cpp, remove most PARAM in ESolver Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0
#7805 opened Aug 12, 2026 by mohanchen Collaborator Loading…
1
CI: use LTS container packages in test workflows Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS Long-Time Support (LTS) Issues related to LTS version
#7782 opened Aug 5, 2026 by Stardust0831 Collaborator • Draft
4 tasks done
CI: isolate LTS container packages Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS Long-Time Support (LTS) Issues related to LTS version
#7781 opened Aug 5, 2026 by Stardust0831 Collaborator Loading…
4 tasks done
2
add OpenMP for LTS Long-Time Support (LTS) Issues related to LTS version Refactor Refactor ABACUS codes
#7777 opened Aug 5, 2026 by linpeize Loading…
Feature: add gga_grad parameter for noncollinear spin GGA functional Feature Discussed The features will be discussed first but will not be implemented soon Refactor Refactor ABACUS codes
#7758 opened Aug 2, 2026 by dyzheng Collaborator Loading…
7 tasks
1
5
Feat(psi): add PsiStorageMode and device_memory_mode for GPU with PW base Bugs Bugs that only solvable with sufficient knowledge of DFT GPU & DCU & HPC GPU and DCU and HPC related any issues
#7746 opened Aug 1, 2026 by dyzheng Collaborator Loading…
7 tasks
1
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…
23
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
22
Feat: add PPCG solver for PW diagonalization Diago Issues related to diagonalizaiton methods
#7580 opened Jul 2, 2026 by cheerly-pku Loading…
11
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
12
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