Skip to content
Open
Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
32 commits
Select commit Hold shift + click to select a range
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
126fdc8
fix: remove orth_cholesky before rayleigh_ritz in CG RR path
Silver-Moon-Over-Snow Jun 5, 2026
5c287c5
fix: add initial Rayleigh-Ritz to CG strategy
Silver-Moon-Over-Snow Jun 5, 2026
22ce9d2
temp: remove CG test, keep only BLOCK_SUBSPACE
Silver-Moon-Over-Snow Jun 5, 2026
c7bba69
chore: remove .claude/settings.json, add to .gitignore
Silver-Moon-Over-Snow Jun 5, 2026
f7a1ea0
fix: use exact quadratic root in line_minimize for CG strategy
Silver-Moon-Over-Snow Jun 5, 2026
187c1f0
fix: use subspace diagonalization for CG non-RR eigenvalues; re-enabl…
Silver-Moon-Over-Snow Jun 6, 2026
c1840ef
fix: revert BLOCK_SUBSPACE to use_p=false to avoid M singularity
Silver-Moon-Over-Snow Jun 6, 2026
765064a
Merge branch 'develop' into ppcg
Silver-Moon-Over-Snow Jun 6, 2026
30577b9
fix: normalize w/p to unit S-norm before building small subspace
Silver-Moon-Over-Snow Jun 6, 2026
2204715
fix: fall back to 2-block subspace when p is bad instead of Krylov Hw
Silver-Moon-Over-Snow Jun 6, 2026
5a428fc
test: expand PPCG unit tests with 6 test cases across diverse matrices
Silver-Moon-Over-Snow Jun 11, 2026
2bfe9c3
Merge branch 'develop' into ppcg
Silver-Moon-Over-Snow Jun 11, 2026
2047224
test: add 23 PPCG unit tests + 2 performance benchmarks
Silver-Moon-Over-Snow Jun 11, 2026
6ab66f1
Merge branch 'develop' into ppcg
Silver-Moon-Over-Snow Jun 16, 2026
c8e34da
Stabilize DiagoPPCG LAPACK fallback paths
Silver-Moon-Over-Snow Jun 16, 2026
23ed821
Trigger CI rerun
Silver-Moon-Over-Snow Jun 16, 2026
7fa4262
Remove local Claude ignore rule
Silver-Moon-Over-Snow Jun 17, 2026
2824e76
Fix PPCG Hermitian subspace LAPACK usage
Silver-Moon-Over-Snow Jun 17, 2026
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
8 changes: 4 additions & 4 deletions source/source_base/module_container/base/third_party/lapack.h
Original file line number Diff line number Diff line change
Expand Up @@ -228,7 +228,7 @@ void hegvd(const int itype, const char jobz, const char uplo, const int n,
float* a, const int lda,
float* b, const int ldb, float* w,
float* work, int lwork, float* rwork, int lrwork,
int* iwork, int liwork, int info)
int* iwork, int liwork, int& info)
{
// call the fortran routine
ssygvd_(&itype, &jobz, &uplo, &n,
Expand All @@ -242,7 +242,7 @@ void hegvd(const int itype, const char jobz, const char uplo, const int n,
double* a, const int lda,
double* b, const int ldb, double* w,
double* work, int lwork, double* rwork, int lrwork,
int* iwork, int liwork, int info)
int* iwork, int liwork, int& info)
{
// call the fortran routine
dsygvd_(&itype, &jobz, &uplo, &n,
Expand All @@ -255,7 +255,7 @@ void hegvd(const int itype, const char jobz, const char uplo, const int n,
std::complex<float>* a, const int lda,
std::complex<float>* b, const int ldb, float* w,
std::complex<float>* work, int lwork, float* rwork, int lrwork,
int* iwork, int liwork, int info)
int* iwork, int liwork, int& info)
{
// call the fortran routine
chegvd_(&itype, &jobz, &uplo, &n,
Expand All @@ -269,7 +269,7 @@ void hegvd(const int itype, const char jobz, const char uplo, const int n,
std::complex<double>* a, const int lda,
std::complex<double>* b, const int ldb, double* w,
std::complex<double>* work, int lwork, double* rwork, int lrwork,
int* iwork, int liwork, int info)
int* iwork, int liwork, int& info)
{
// call the fortran routine
zhegvd_(&itype, &jobz, &uplo, &n,
Expand Down
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
Expand Down
Loading
Loading