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Pull requests: deepmodeling/abacus-develop

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Pull requests list

Draft: Enable complex multi-k PEXSI path for LCAO
#7381 opened May 25, 2026 by JohnHe233 Loading…
3 of 4 tasks
1
Add optional DFT-D4 support
#7380 opened May 24, 2026 by Growl1234 Loading…
11
Update out_chg 2 and out_pot 3, and elf Features Needed The features are indeed needed, and developers should have sophisticated knowledge Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes
#7379 opened May 24, 2026 by mohanchen Collaborator Loading…
1
Fix: use correct \psi for GPU in cal_tau for ELF GPU & DCU & HPC GPU and DCU and HPC related any issues Refactor Refactor ABACUS codes
#7378 opened May 23, 2026 by Flying-dragon-boxing Collaborator • Draft
feat: implement mixed-precision eigensolver for CG and Davidson methods Feature Discussed The features will be discussed first but will not be implemented soon Refactor Refactor ABACUS codes
#7377 opened May 23, 2026 by laoba657 Loading…
4 tasks
22
[LTS] Skip precommit for CI and add missing hint Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#7372 opened May 21, 2026 by Growl1234 Loading…
1
fix(nupdown): only set two_fermi when nupdown is non-zero Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes
#7371 opened May 21, 2026 by dyzheng Collaborator Loading…
4 tasks
1
Refactor: hs file output Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes
#7367 opened May 20, 2026 by goodchong Collaborator Loading…
4 tasks
1
Add the framework of DFPT in plane wave basis DFPT Density Functional Perturbation Theory
#7356 opened May 18, 2026 by mohanchen Collaborator Loading…
Electrostatic correction of Makov-Payne type Features Needed The features are indeed needed, and developers should have sophisticated knowledge Refactor Refactor ABACUS codes
#7354 opened May 18, 2026 by kluonju Loading…
6
Refactor: move exx files
#7352 opened May 17, 2026 by linpeize Loading…
Feature: DeltaSpin for LCAO and PW base and DFTU for PW, both collinear and noncollinear spin Features Needed The features are indeed needed, and developers should have sophisticated knowledge Refactor Refactor ABACUS codes
#7304 opened May 1, 2026 by dyzheng Collaborator Loading…
4 tasks
15
Fix(module_xc): compute real density laplacian for meta-GGA functionals Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes
#7286 opened Apr 26, 2026 by dyzheng Collaborator • Draft
4 tasks
1
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