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DeltaP PW Phase E: force/stress correction via DeltaSpin kernel reuse
Build Test
#909:
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f0a867d
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1m 29s
feat/deltap
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Fix(deltaspin): enable final diag after subspace for nspin=4
Build Test
#908:
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1m 29s
feat/ds-lcao-subspace-accel
feat/ds-lcao-subspace-accel
1m 29s
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Feat(psi/hsolver): integrate k-point paging into HSolverPW solve loop
Build Test
#907:
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1m 32s
feat/ds-lcao-subspace-accel
feat/ds-lcao-subspace-accel
1m 32s
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DeltaP PW: fix inner loop — use void* hamilt + simplified D.1
Build Test
#906:
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63f3165
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2m 20s
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2m 20s
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Feat(xc/psi): libxc gga_grad=3 SF, PAGED_GPU to_range/fix_k fixes
Build Test
#905:
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d57aa19
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1m 11s
feat/ds-lcao-subspace-accel
feat/ds-lcao-subspace-accel
1m 11s
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DeltaP PW Phase D: subspace inner loop preparation
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#904:
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2m 6s
feat/deltap
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Feat(deltaspin): nspin=4 LCAO subspace, Pauli sign fixes, gint_precision
Build Test
#903:
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4dfc525
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1m 29s
feat/ds-lcao-subspace-accel
feat/ds-lcao-subspace-accel
1m 29s
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DeltaP PW: fix nspin assumption + add UnitCell fwd decl + one-shot la…
Build Test
#902:
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2m 22s
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Feat(psi): add PsiStorageMode and device_memory_mode for GPU paging
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#901:
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1m 26s
feat/ds-lcao-subspace-accel
feat/ds-lcao-subspace-accel
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docs: add branch comparison analysis (feat/ds-lcao-subspace-unified v…
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#900:
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2m 6s
feat/ds-lcao-subspace-unified
feat/ds-lcao-subspace-unified
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Feat(xc): implement gga_grad parameter for noncollinear GGA gradient …
Build Test
#899:
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1m 27s
feat/ds-lcao-subspace-accel
feat/ds-lcao-subspace-accel
1m 27s
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DeltaP PW: fix multi-k segfault — use Gamma mesh + pw_rho
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#898:
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1m 50s
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1m 50s
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DeltaP Phase B3: per-atom gamma via becp weights from OnsiteProjector
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#897:
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2m 12s
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2m 12s
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DeltaP Phase B2b: integrate dynamic gamma + lambda loop for PW
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#896:
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13197cb
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2m 10s
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2m 10s
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DeltaP Phase B2: compute_total_gamma_pw() for PW Berry phase
Build Test
#895:
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73e8d00
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2m 11s
feat/deltap
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2m 11s
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DeltaP Phase C.3: refactor esolver_ks_lcao.cpp to use deltap_common.h
Build Test
#894:
Commit
32094b5
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1m 44s
feat/deltap
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1m 44s
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DeltaP PW Phase A: H(k) constraint potential via OnsiteProj operator
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#893:
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1m 34s
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1m 34s
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fix(xc): restore func_type check in gradcorr stress path for mGGA
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#892:
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2m 5s
feat/scanl-laplacian-support
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fix(xc): improve SCAN-L Laplacian implementation with bug fixes and t…
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#891:
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1m 16s
feat/scanl-laplacian-support
feat/scanl-laplacian-support
1m 16s
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DeltaP: add deltap_common.h + deltap_solver.h for PW preparation
Build Test
#890:
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1m 29s
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1m 29s
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DeltaP: update user manual with BFGS inner loop and E-field output
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#889:
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bb8311b
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1m 48s
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1m 48s
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DeltaP: fix inner loop re-entry + add gating/cleanup
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#888:
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c95ee79
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1m 30s
feat/deltap
feat/deltap
1m 30s
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Build Test
Build Test
#887:
by
dyzheng
1m 53s
feat/deltap
feat/deltap
1m 53s
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DeltaP: rename deltap_nscf to deltap_inner_nmax
Build Test
#886:
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523a944
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2m 33s
feat/deltap
feat/deltap
2m 33s
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Build Test
Build Test
#885:
by
dyzheng
1m 55s
feat/deltap
feat/deltap
1m 55s
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