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Pull requests: deepmodeling/abacus-develop
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Refactor OFDFT line-search task buffer to std::array
#7985
opened Sep 17, 2026 by
zzlinpku
Collaborator
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7 tasks done
source_relax: give BFGS_Basic and Ions_Move_BFGS an explicit test seam, removing four access hacks
#7984
opened Sep 17, 2026 by
Critsium-xy
Collaborator
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source_estate: give Occupy's stateless smearing helpers a real interface, removing two access hacks
#7983
opened Sep 17, 2026 by
Critsium-xy
Collaborator
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tests: take source_base and source_hamilt off #define private public, via accessors that already existed
#7982
opened Sep 17, 2026 by
Critsium-xy
Collaborator
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source_md: pass MD_para explicitly and expose thermostat state, removing eighteen access hacks
#7981
opened Sep 17, 2026 by
Critsium-xy
Collaborator
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tests: remove fifteen #define private public — by deleting dead hacks and by passing INPUT values explicitly
#7980
opened Sep 17, 2026 by
Critsium-xy
Collaborator
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Fix(deltaspin): memory leak error of deltaspin for nspin=4
#7978
opened Sep 16, 2026 by
dyzheng
Collaborator
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Fix: bug of DeltaSpin with nspin=2 for both pw and lcao base
#7977
opened Sep 16, 2026 by
dyzheng
Collaborator
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Output a screen notice when calculating EXX force/stress
#7975
opened Sep 16, 2026 by
goodchong
Collaborator
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source_hsolver: decouple the eigensolvers from hamilt through HSOperator/HSMatrix interfaces
#7974
opened Sep 16, 2026 by
Critsium-xy
Collaborator
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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
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Toolchain: Remove OpenBLAS-based architecture detection
Compile & CICD & Docs & Dependencies
Issues related to compiling ABACUS
#7971
opened Sep 15, 2026 by
Growl1234
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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
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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
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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
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7 tasks done
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
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Fix and optimize get_S sparse output
Refactor
Refactor ABACUS codes
#7885
opened Aug 31, 2026 by
sgyang345
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7 tasks
Feat: add PPCG solver for PW diagonalization
Diago
Issues related to diagonalizaiton methods
#7848
opened Aug 22, 2026 by
cheerly-pku
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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
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