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Pull requests: deepmodeling/abacus-develop

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Pull requests list

Update DFPT (pw) codes DFPT Density Functional Perturbation Theory Refactor Refactor ABACUS codes
#7894 opened Sep 2, 2026 by mohanchen Collaborator Loading…
Refactor parallel communicators Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0
#7893 opened Sep 1, 2026 by mohanchen Collaborator Loading…
test(base): expand source_base unit-test coverage Refactor Refactor ABACUS codes Tests/Examples Issues/PR related to unit tests and integrate tests
#7888 opened Sep 1, 2026 by Critsium-xy Collaborator Loading…
7 tasks done
Refactor HSolver to remove global runtime dependencies Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0
#7887 opened Sep 1, 2026 by Critsium-xy Collaborator Loading…
Fix and optimize get_S sparse output Refactor Refactor ABACUS codes
#7885 opened Aug 31, 2026 by sgyang345 Loading…
7 tasks
2
Refactor DeltaSpin step 2: add Tests and refactor collinear/non-collinear/SOC/delta-spin Issues related to SOC Refactor Refactor ABACUS codes Tests/Examples Issues/PR related to unit tests and integrate tests The Absolute Zero Reduce the "entropy" of the code to 0
#7883 opened Aug 30, 2026 by mohanchen Collaborator Loading…
1
fix(dft+u): stabilize UOM mixing and frozen-occupation potential updates DFT+U Issues related to DFT plus U function Feature Discussed The features will be discussed first but will not be implemented soon Refactor Refactor ABACUS codes
#7882 opened Aug 30, 2026 by liu-687 Loading…
8
DFT+U refactor, step 6 DFT+U Issues related to DFT plus U function Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0
#7879 opened Aug 29, 2026 by mohanchen Collaborator Loading…
2
Fix undefined basis variable in interface workflow (#7571) Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#7878 opened Aug 29, 2026 by mohanchen Collaborator Loading…
1
Fix(ci): publish governance warnings on pull requests from forks
#7876 opened Aug 29, 2026 by Critsium-xy Collaborator Loading…
7 tasks done
Support binary LCAO wavefunction input Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes
#7863 opened Aug 26, 2026 by goodchong Collaborator Loading…
1
CI: Enable PEXSI in GNU workflows Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#7854 opened Aug 24, 2026 by Growl1234 Loading…
5
Refactor LR_IO function and add test case 58_KP_LR_BSE Feature Discussed The features will be discussed first but will not be implemented soon Input&Output Suitable for coders without knowing too many DFT details Tests/Examples Issues/PR related to unit tests and integrate tests
#7849 opened Aug 23, 2026 by Fisherd99 Loading…
13
Feat: add PPCG solver for PW diagonalization Diago Issues related to diagonalizaiton methods
#7848 opened Aug 22, 2026 by cheerly-pku Loading…
Fix: LCAO nspin=2/4 density-matrix chain (DMK -> DMR), the SOC nonlocal force/stress path, and the force/stress contraction tests Refactor Refactor ABACUS codes
#7833 opened Aug 18, 2026 by dyzheng Collaborator Loading…
7 tasks
1
1
Re-implement DFT-D3 against the s-dftd3 reference Feature Discussed The features will be discussed first but will not be implemented soon Refactor Refactor ABACUS codes
#7830 opened Aug 18, 2026 by Growl1234 Loading…
4
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
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