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wladerer
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gradwave
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feat(scf): band-parallel FFT H-apply for few-k large cells (measured: parked)
CI
#1296:
Pull request
#471
opened by
wladerer
25m 10s
perf/band-parallel
perf/band-parallel
25m 10s
View #471
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perf(solvers): zero-copy col-major QR native kernel + call-time GRADW…
CI
#1295:
Commit
f82c05f
pushed by
wladerer
30m 16s
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main
30m 16s
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perf(solvers): route eager Davidson RR GEMMs through OpenBLAS zgemm (measured 1.05x serial / 1.02x k-parallel)
CI
#1294:
Pull request
#470
opened by
wladerer
26m 47s
perf/eager-rr-blas
perf/eager-rr-blas
26m 47s
View #470
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perf(solvers): zero-copy col-major QR native kernel + call-time GRADWAVE_EIGENSOLVER read
CI
#1293:
Pull request
#469
opened by
wladerer
31m 8s
perf/native-colmajor-glue
perf/native-colmajor-glue
31m 8s
View #469
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feat(cli): distributed: N — self-launching single-box k-sharded ranks…
CI
#1292:
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2a6e51b
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wladerer
31m 53s
main
main
31m 53s
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feat(solvers): davidson-native — compiled batched Davidson with per-k…
CI
#1291:
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1534b05
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wladerer
1m 35s
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1m 35s
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feat(cli): distributed: N — self-launching single-box k-sharded ranks (6.6-12x measured)
CI
#1290:
Pull request
#468
synchronize by
wladerer
26m 12s
feat/distributed-local-ranks
feat/distributed-local-ranks
26m 12s
View #468
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feat(cli): distributed: N — self-launching single-box k-sharded ranks (6.6-12x measured)
CI
#1289:
Pull request
#468
opened by
wladerer
6m 29s
feat/distributed-local-ranks
feat/distributed-local-ranks
6m 29s
View #468
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feat(solvers): davidson-native — compiled batched Davidson with per-k retirement (4-8x measured)
CI
#1288:
Pull request
#467
opened by
wladerer
32m 22s
feat/native-davidson-solver
feat/native-davidson-solver
32m 22s
View #467
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feat(scf): k-parallel eigensolve — per-k Davidson thread pool (scf.me…
CI
#1287:
Commit
f0497e7
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wladerer
29m 37s
main
main
29m 37s
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feat(scf): k-parallel eigensolve — per-k Davidson thread pool (scf.memory.k_parallel)
CI
#1286:
Pull request
#466
opened by
wladerer
24m 0s
feat/k-parallel-solve
feat/k-parallel-solve
24m 0s
View #466
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feat(flapw): auto-semicore-LO helper + flip Ti to 3s-valence default …
CI
#1285:
Commit
625e964
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wladerer
35m 41s
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35m 41s
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feat(flapw): auto-semicore-LO helper + flip Ti to 3s-valence default
CI
#1284:
Pull request
#465
opened by
wladerer
33m 42s
feat/flapw-ti-3s-valence-default
feat/flapw-ti-3s-valence-default
33m 42s
View #465
View workflow file
fix(flapw/xps): two-lever within-cell O1s Madelung fix (Ti 3s valence…
CI
#1283:
Commit
8999c61
pushed by
wladerer
25m 15s
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25m 15s
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fix(flapw/xps): two-lever within-cell O1s Madelung fix (Ti 3s valence LO + band-limited ρ_I mask)
CI
#1282:
Pull request
#464
opened by
wladerer
23m 41s
fix/flapw-xps-two-lever
fix/flapw-xps-two-lever
23m 41s
View #464
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test(surface_energy): physical bonded-slab γ gate (Al(100)) (#462)
CI
#1281:
Commit
4c3eab0
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wladerer
26m 45s
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main
26m 45s
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diag(flapw/xps): stage-2a attribution of the O1s interstitial-Madelun…
CI
#1280:
Commit
da6b870
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wladerer
1m 10s
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main
1m 10s
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diag(flapw/xps): stage-2a Madelung deficit attribution (report, no Coulomb-layer change)
CI
#1279:
Pull request
#463
opened by
wladerer
58s
fix/flapw-weinert-formulation
fix/flapw-weinert-formulation
58s
View #463
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harden: fail-closed convergence gating in eos/elastic/qha/surface_ene…
CI
#1278:
Commit
d070a1e
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wladerer
5m 3s
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main
5m 3s
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test(surface_energy): physical bonded-slab γ gate (Al(100))
CI
#1277:
Pull request
#462
opened by
wladerer
36m 18s
test/surface-energy-physical-slab
test/surface-energy-physical-slab
36m 18s
View #462
View workflow file
harden: fail-closed convergence gating (eos/elastic/qha/surface_energy) + pin Γ-residual convention
CI
#1276:
Pull request
#461
opened by
wladerer
27m 2s
fix/convergence-and-gamma-residual
fix/convergence-and-gamma-residual
27m 2s
View #461
View workflow file
docs(optics): correct f-sum docstring — the [r,V_NL] commutator is pr…
CI
#1275:
Commit
903bbe4
pushed by
wladerer
30m 54s
main
main
30m 54s
View workflow file
docs(optics): correct f-sum docstring — [r,V_NL] commutator is present, not missing
CI
#1274:
Pull request
#460
opened by
wladerer
27m 58s
docs/optics-fsum-comment-fix
docs/optics-fsum-comment-fix
27m 58s
View #460
View workflow file
test: physics edge cases + formalism-breadth property invariants (#459)
CI
#1273:
Commit
489e9d8
pushed by
wladerer
27m 7s
main
main
27m 7s
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test: pin KB projector norm + dense band-chunk bit-exactness (#458)
CI
#1272:
Commit
6021753
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wladerer
6m 3s
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6m 3s
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