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Pull requests list

Refactor module_hamilt global dependencies
#7903 opened Sep 3, 2026 by Critsium-xy Collaborator Loading…
7 tasks done
Fix: preserve exact-origin spherical harmonics in GPU Gint (Useful Information to print out exactly the same numbers with both CPU and GPU) 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 Useful Information Useful information for others to learn/study
#7901 opened Sep 3, 2026 by GenZeal-Lin Loading…
7 tasks done
1
1
Change names of MD subroutines and files MD & LAM MD and Larege Atomic Models Refactor Refactor ABACUS codes
#7900 opened Sep 3, 2026 by 19hello Collaborator Loading…
7 tasks done
2
Refactor klist, fix a few bugs Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0
#7897 opened Sep 3, 2026 by mohanchen Collaborator Loading…
7
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…
1
Fix and optimize get_S sparse output Refactor Refactor ABACUS codes
#7885 opened Aug 31, 2026 by sgyang345 Loading…
7 tasks
2
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
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
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…
12
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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