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Pull requests list

Refactor: Replace RapidJSON with nlohmann-json
#7979 opened Sep 16, 2026 by Growl1234 Loading…
10
Fix(deltaspin): memory leak error of deltaspin for nspin=4
#7978 opened Sep 16, 2026 by dyzheng Collaborator Loading…
1
Fix: bug of DeltaSpin with nspin=2 for both pw and lcao base
#7977 opened Sep 16, 2026 by dyzheng Collaborator Loading…
Docs: Generate input reference in CI
#7976 opened Sep 16, 2026 by Growl1234 Loading…
5
Output a screen notice when calculating EXX force/stress
#7975 opened Sep 16, 2026 by goodchong Collaborator Loading…
1
source_hsolver: decouple the eigensolvers from hamilt through HSOperator/HSMatrix interfaces
#7974 opened Sep 16, 2026 by Critsium-xy Collaborator Loading…
6 of 7 tasks
Refactor charge density and density matrix modules Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0
#7972 opened Sep 16, 2026 by mohanchen Collaborator Loading…
Toolchain: Remove OpenBLAS-based architecture detection Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#7971 opened Sep 15, 2026 by Growl1234 Loading…
4
Feature: Symmetry for DFT+U DFT+U Issues related to DFT plus U function Features Needed The features are indeed needed, and developers should have sophisticated knowledge Refactor Refactor ABACUS codes
#7969 opened Sep 14, 2026 by maki49 Collaborator Loading…
1
12
Fix #7959 #7956, remove useless file. Bugs Bugs that only solvable with sufficient knowledge of DFT GPU & DCU & HPC GPU and DCU and HPC related any issues Refactor Refactor ABACUS codes
#7962 opened Sep 14, 2026 by mohanchen Collaborator Loading…
2
2
Docs: Fix Sphinx build warnings and treat warnings as errors
#7958 opened Sep 13, 2026 by Growl1234 • Draft
2 tasks
1
feat(xc): add gga_grad 1/2 with variationally consistent mode 2 Feature Discussed The features will be discussed first but will not be implemented soon Refactor Refactor ABACUS codes
#7924 opened Sep 7, 2026 by MagTheoryLab Loading…
7 tasks done
5
Refactor occupy.h/cpp and update MPI kmesh_world Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0
#7906 opened Sep 4, 2026 by mohanchen Collaborator Loading…
4
Fix and optimize get_S sparse output Refactor Refactor ABACUS codes
#7885 opened Aug 31, 2026 by sgyang345 Loading…
7 tasks
2
Feat: add PPCG solver for PW diagonalization Diago Issues related to diagonalizaiton methods
#7848 opened Aug 22, 2026 by cheerly-pku Loading…
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…
29
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