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molresponse docs: seeded ES solves refine what they are handed (guard… Linux/MacOS Build #418: Commit 231c1c5 pushed by ahurta92
6h 0m 18s feat/es-seed-root-guard
feat/es-seed-root-guard
6h 0m 18s
molresponse: wire test_tpa_regroup_identities into the fixture ctest … Linux/MacOS Build #417: Commit ba8dcb5 pushed by ahurta92
1h 30m 16s feat/quadratic-source-spec
feat/quadratic-source-spec
1h 30m 16s
Merge upstream/master (rebase-equivalent; fork blocks force-push) Linux/MacOS Build #416: Commit 0dad5b3 pushed by ahurta92
1h 44m 55s feat/es-guess-virtual-ao
feat/es-guess-virtual-ao
1h 44m 55s
Merge upstream/master (rebase-equivalent; fork blocks force-push) Linux/MacOS Build #415: Commit 75faf6c pushed by ahurta92
1h 49m 56s feat/dalton-seed-import
feat/dalton-seed-import
1h 49m 56s
molresponse: port the occupied-gauge rotation into the ES seed tool Linux/MacOS Build #414: Commit 7cff90b pushed by ahurta92
28m 58s feat/dalton-seed-import
feat/dalton-seed-import
28m 58s
docs(molresponse): excited-states guide used a deck grammar that does… Linux/MacOS Build #413: Commit ee59d13 pushed by ahurta92
1h 46m 18s fix/es-guide-deck-grammar
fix/es-guide-deck-grammar
1h 46m 18s
molresponse: expose the excited-state guess (virtual_ao) as a user-fa… Linux/MacOS Build #412: Commit becc887 pushed by ahurta92
1h 43m 27s feat/es-guess-virtual-ao
feat/es-guess-virtual-ao
1h 43m 27s
molresponse: dalton seed — rotate response vectors into the MADNESS o… Linux/MacOS Build #411: Commit 1d99f7c pushed by ahurta92
38m 20s feat/dalton-seed-import
feat/dalton-seed-import
38m 20s
chore: ignore *.cache* (editor/tooling caches) Linux/MacOS Build #410: Commit 82098f5 pushed by ahurta92
1h 8m 14s feat/tpa
feat/tpa
1h 8m 14s
fix: C++17 portability (clang -Werror) + verified example decks for t… Linux/MacOS Build #409: Commit e2e55e1 pushed by ahurta92
1h 37m 11s response-release
response-release
1h 37m 11s
fix(molresponse): restore the fixed metadata tmp name (crash-cleanup … Linux/MacOS Build #408: Commit 98057f6 pushed by ahurta92
1h 34m 4s response-release
response-release
1h 34m 4s
docs(molresponse): overhaul to a minimal feature-guide set for release Linux/MacOS Build #407: Commit 1db6da0 pushed by ahurta92
1h 19m 54s feat/tpa
feat/tpa
1h 19m 54s
merge: molresponse stale-code cleanup (chore/molresponse-stale-cleanup) Linux/MacOS Build #406: Commit 70bd7ff pushed by ahurta92
1h 19m 53s feat/tpa
feat/tpa
1h 19m 53s
fix(molresponse): seed_moldft_from_dalton occupation — aocc=1.0 (alph… Linux/MacOS Build #405: Commit b96ea55 pushed by ahurta92
1h 19m 34s feat/tpa
feat/tpa
1h 19m 34s
refactor(molresponse): retire the legacy ResponseKernel/ResponseFunct… Linux/MacOS Build #404: Commit 242b5aa pushed by ahurta92
1h 19m 54s chore/molresponse-stale-cleanup
chore/molresponse-stale-cleanup
1h 19m 54s
feat(molresponse): seed_moldft_from_dalton — GS SCF seed from DALTON … Linux/MacOS Build #403: Commit baedc24 pushed by ahurta92
1h 18m 55s feat/tpa
feat/tpa
1h 18m 55s
feat(molresponse): seed_from_dalton --full — Full/RPA (X,Y) seed bundle Linux/MacOS Build #402: Commit 476dd4b pushed by ahurta92
48m 45s feat/tpa
feat/tpa
48m 45s
build(molresponse): seed_from_dalton out of the HDF5 guard (native pa… Linux/MacOS Build #401: Commit 7e72640 pushed by ahurta92
1h 24m 12s feat/tpa
feat/tpa
1h 24m 12s
feat(molresponse): seed_from_dalton multi-root bundles (--roots/--ome… Linux/MacOS Build #400: Commit e81d352 pushed by ahurta92
1h 17m 37s feat/tpa
feat/tpa
1h 17m 37s
fix(molresponse): metadata save() concurrency — pid-unique tmp + read… Linux/MacOS Build #399: Commit b2fca6e pushed by ahurta92
1h 21m 19s feat/tpa
feat/tpa
1h 21m 19s
fix(madqc): guard JSON-deck CLI-override with if constexpr (Molecule … Linux/MacOS Build #398: Commit 33aba83 pushed by ahurta92
1h 34m 15s integration
integration
1h 34m 15s
fix(mra): make QCCalculationParametersBase::read_commandline_options … Linux/MacOS Build #397: Commit a0ed6c7 pushed by ahurta92
33m 8s integration
integration
33m 8s
fix(molresponse/madqc): round-2 MED/LOW sweep batch 2 — the remaining 7 Linux/MacOS Build #396: Commit 877d210 pushed by ahurta92
23m 20s integration
integration
23m 20s
fix(molresponse): round-2 MED/LOW sweep batch 1 — beta aggregate verd… Linux/MacOS Build #395: Commit 6b1a634 pushed by ahurta92
1h 12m 10s integration
integration
1h 12m 10s
fix(molresponse): warn up front when subworlds + native backend will … Linux/MacOS Build #394: Commit fc84375 pushed by ahurta92
1h 12m 6s integration
integration
1h 12m 6s