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4acf8ca
2025PKUCourseHW5: Case: 1 - Change rank_seed_offset to static const
Silver-Moon-Over-Snow Mar 28, 2026
c54aac5
Merge pull request #1 from Silver-Moon-Over-Snow/Silver-Moon-Over-Sno…
Silver-Moon-Over-Snow Mar 28, 2026
902a6a3
Merge branch 'deepmodeling:develop' into develop
Silver-Moon-Over-Snow Apr 7, 2026
42417ad
Merge branch 'deepmodeling:develop' into develop
Silver-Moon-Over-Snow Apr 8, 2026
7649894
Merge branch 'deepmodeling:develop' into develop
Silver-Moon-Over-Snow May 30, 2026
f93ba7c
feat: add DiagoPPCG solver (Projection Preconditioned Conjugate Gradi…
Silver-Moon-Over-Snow May 30, 2026
0496c6c
fix: stabilize DiagoPPCG - potrf retry, sygvd double-call, and orthon…
Silver-Moon-Over-Snow May 30, 2026
30276e4
fix: stabilize PPCG for nband>1 - Krylov fallback, M save/restore, CG…
Silver-Moon-Over-Snow May 30, 2026
f06ad8a
fix: use full complex inner product for gradient/vector projections
Silver-Moon-Over-Snow May 30, 2026
a4729c8
fix: remove extra chol_qr_active after update_one_block in BLOCK_SUBS…
Silver-Moon-Over-Snow May 31, 2026
49f70c2
revert: remove unintended 'static' from rank_seed_offset in sto_wf.cpp
Silver-Moon-Over-Snow May 31, 2026
3713712
fix: use real-only initial wavefunctions in PPCG unit test
Silver-Moon-Over-Snow May 31, 2026
c2a32db
fix: disable 3-block [psi,w,p] subspace to prevent M-matrix ill-condi…
Silver-Moon-Over-Snow Jun 3, 2026
8340fd7
fix: use rr_step=1 for CG to prevent Cholesky band mixing
Silver-Moon-Over-Snow Jun 3, 2026
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16 changes: 16 additions & 0 deletions .claude/settings.json
Original file line number Diff line number Diff line change
@@ -0,0 +1,16 @@
{
"permissions": {
"allow": [
"Bash(make --version)",
"Bash(pacman -Q mingw-w64-x86_64-lapack)",
"Bash(pacman -S --noconfirm mingw-w64-x86_64-lapack mingw-w64-x86_64-openblas)",
"Bash(\"D:/HuaweiMoveData/Users/李家齐/Desktop/ppcg-for-abacus-develop/test_ppcg.exe\")",
"Bash(g++ -std=c++17 -O2 -Wall -o test_ppcg_run.exe diago_ppcg.cpp test/diago_ppcg_test.cpp test/lapack_replacement.cpp -I.)",
"Bash(g++ -std=c++17 -O2 -Wall -o test_ppcg_v2.exe diago_ppcg.cpp test/lapack_replacement.cpp -I. \"D:/HuaweiMoveData/Users/李家齐/Desktop/ppcg-for-abacus-develop/test_main.cpp\" -I.)",
"Bash(./test_ppcg_v2.exe)",
"Bash(./test_ppcg.exe)",
"Bash(g++ -std=c++17 -O0 -g -o debug_block.exe diago_ppcg.cpp test/lapack_replacement.cpp debug_block_ppcg.cpp -I. -I test)",
"Bash(./debug_block.exe)"
]
}
}
1 change: 1 addition & 0 deletions source/source_hsolver/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -4,6 +4,7 @@ list(APPEND objects
diago_david.cpp
diago_dav_subspace.cpp
diago_bpcg.cpp
diago_ppcg.cpp
para_linear_transform.cpp
hsolver_pw.cpp
hsolver_lcaopw.cpp
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