AUTHORS.md
CHANGELOG.md
CITATION.cff
CODE_OF_CONDUCT.md
CONTRIBUTING.md
FOUNDATION_REPORT.md
GOVERNANCE.md
LICENSE
MAINTAINERS.md
MANIFEST.in
PUBLIC_REPO_STATUS.md
README.md
RELEASE_NOTES.md
ROADMAP.md
SECURITY.md
SOURCES.md
SUPPORT.md
THIRD_PARTY.md
VALIDATION.md
constraints.txt
mkdocs.yml
pyproject.toml
requirements-dev.txt
requirements-docs.txt
requirements-web.txt
requirements.txt
.github/PULL_REQUEST_TEMPLATE.md
.github/dependabot.yml
.github/ISSUE_TEMPLATE/bug.yml
.github/ISSUE_TEMPLATE/config.yml
.github/ISSUE_TEMPLATE/feature.yml
.github/ISSUE_TEMPLATE/scientific-validation.yml
.github/workflows/ci.yml
.github/workflows/docs.yml
.github/workflows/package.yml
.github/workflows/release.yml
benchmarks/mnas/BENCHMARK_PROTOCOL.md
benchmarks/mnas/DATA_SHA256.json
benchmarks/mnas/PROVENANCE.md
benchmarks/mnas/README.md
benchmarks/mnas/reproduce.py
benchmarks/mnas/data/L5_cooling.json
benchmarks/mnas/data/L5_heating.json
benchmarks/mnas/data/L6_heating.json
benchmarks/mnas/data/alpha_fm.json
benchmarks/mnas/data/benchmark_table.csv
benchmarks/mnas/data/paper_reference.json
benchmarks/mnas/data/parameter_sensitivity.csv
benchmarks/mnas/data/proposal_replica_comparison.csv
benchmarks/mnas/data/spin_dos_pdos.csv
benchmarks/mnas/data/spin_lattice_standard_seed43.json
benchmarks/mnas/data/spin_lattice_summary.csv
benchmarks/mnas/data/verified_metrics.json
benchmarks/mnas/figures/finite_size_transition.png
benchmarks/mnas/figures/mnas_dos_pdos.png
benchmarks/mnas/figures/parameter_sensitivity.png
benchmarks/mnas/figures/phase_fraction_hysteresis.png
benchmarks/mnas/figures/phase_structures.png
benchmarks/mnas/figures/proposal_invariance.png
benchmarks/mnas/figures/workflow_schematic.png
benchmarks/registry/MnAs_alpha_NiAs.cif
benchmarks/registry/Si_diamond.cif
benchmarks/srtio3/BENCHMARK_PROTOCOL.md
benchmarks/srtio3/README.md
benchmarks/srtio3/RESULTS_SUMMARY.md
benchmarks/srtio3/environment.yml
benchmarks/srtio3/run_pilot.sh
benchmarks/srtio3/figures/indirect_gap_absolute_error.png
benchmarks/srtio3/figures/indirect_gap_comparison.png
benchmarks/srtio3/manuscript/main.tex
benchmarks/srtio3/reference/begum_2019_srtio3.json
benchmarks/srtio3/results/comparison.csv
benchmarks/srtio3/results/pilot_actual.json
benchmarks/srtio3/results/pilot_gpaw.txt
benchmarks/srtio3/results/platform_validation_actual.json
benchmarks/srtio3/structures/SrTiO3_cubic_Pm-3m.cif
docs/ARCHITECTURE.md
docs/AUDIT_V0.8.md
docs/BACKEND_PREFLIGHT.md
docs/BENCHMARK_POLICY.md
docs/CURRICULUM.md
docs/LINKEDIN_MNAS_POST.md
docs/MATERIAL_STUDIO.md
docs/MIGRATION_V0.9.md
docs/PROJECT_DATABASE.md
docs/PUBLIC_API.md
docs/PUBLISHING_CHECKLIST.md
docs/RELEASING.md
docs/SCIENTIFIC_CONTRACT.md
docs/SCIENTIFIC_SCOPE.md
docs/STUDY_PLANNER.md
docs/TERMINAL_UI.md
docs/USE_CASE_MNAS.md
docs/WEB_STUDIO.md
docs/WORKFLOW_ENGINE.md
docs/index.md
docs/assets/quantumforge_pixel_logo.png
examples/born_oppenheimer.yaml
examples/dft_ladder.yaml
examples/kkr_cpa.yaml
examples/mnas_heisenberg.yaml
examples/mnas_ising.yaml
examples/mnas_spin_lattice.yaml
examples/molecular_dynamics.yaml
examples/monte_carlo.yaml
examples/workflow_teaching.yml
examples/generated/SrTiO3-study/PLAN.md
examples/generated/SrTiO3-study/SrTiO3.cif
examples/generated/SrTiO3-study/inspection.json
examples/generated/SrTiO3-study/provenance.json
examples/generated/SrTiO3-study/run_study.py
examples/generated/SrTiO3-study/study.yaml
examples/materials/Fe_bcc.cif
examples/materials/H2O.xyz
examples/materials/SrTiO3.cif
quantumforge/__init__.py
quantumforge/backend_manager.py
quantumforge/cli.py
quantumforge/doctor.py
quantumforge/environment.py
quantumforge/launcher.py
quantumforge/lessons.py
quantumforge/models.py
quantumforge/projectdb.py
quantumforge/provenance.py
quantumforge/registry.py
quantumforge/runstore.py
quantumforge/scientific.py
quantumforge/terminal.py
quantumforge/backends/__init__.py
quantumforge/backends/akaikkr_backend.py
quantumforge/backends/base.py
quantumforge/backends/gpaw_backend.py
quantumforge/backends/pyscf_backend.py
quantumforge/backends/triqs_backend.py
quantumforge/benchmarks/__init__.py
quantumforge/benchmarks/mnas.py
quantumforge/benchmarks/mnas_case_study.py
quantumforge/benchmarks/mnas_spin_lattice.py
quantumforge/benchmarks/srtio3.py
quantumforge/data/__init__.py
quantumforge/data/benchmarks/Fe_bcc.cif
quantumforge/data/benchmarks/H2O.xyz
quantumforge/data/benchmarks/MnAs_alpha_NiAs.cif
quantumforge/data/benchmarks/Si_diamond.cif
quantumforge/data/benchmarks/SrTiO3.cif
quantumforge/data/benchmarks/__init__.py
quantumforge/methods/__init__.py
quantumforge/methods/base.py
quantumforge/methods/born_oppenheimer.py
quantumforge/methods/dft_ladder.py
quantumforge/methods/dmft.py
quantumforge/methods/hartree_fock.py
quantumforge/methods/heisenberg_mc.py
quantumforge/methods/kkr_cpa.py
quantumforge/methods/mean_field.py
quantumforge/methods/molecular_dynamics.py
quantumforge/methods/monte_carlo.py
quantumforge/methods/monte_carlo_nd.py
quantumforge/methods/paw.py
quantumforge/methods/pseudopotential.py
quantumforge/methods/spin_lattice_mc.py
quantumforge/methods/spin_mc_core.py
quantumforge/methods/tight_binding.py
quantumforge/study/__init__.py
quantumforge/study/inspector.py
quantumforge/study/models.py
quantumforge/study/parsers.py
quantumforge/study/periodic.py
quantumforge/study/planner.py
quantumforge/study/writer.py
quantumforge/ui/__init__.py
quantumforge/ui/app.py
quantumforge/ui/material_builder.py
quantumforge/ui/assets/quantumforge_pixel_logo.png
quantumforge/validation/__init__.py
quantumforge/validation/registry.py
quantumforge/workflow/__init__.py
quantumforge/workflow/executor.py
quantumforge/workflow/models.py
quantumforge/workflow/store.py
quantumforge_laptop.egg-info/PKG-INFO
quantumforge_laptop.egg-info/SOURCES.txt
quantumforge_laptop.egg-info/dependency_links.txt
quantumforge_laptop.egg-info/entry_points.txt
quantumforge_laptop.egg-info/requires.txt
quantumforge_laptop.egg-info/top_level.txt
scripts/bootstrap.ps1
scripts/bootstrap.sh
scripts/release_checksums.py
tests/test_backend_manager.py
tests/test_classical.py
tests/test_condensed_matter.py
tests/test_doctor.py
tests/test_material_builder.py
tests/test_material_studio.py
tests/test_mnas_case_study.py
tests/test_projectdb.py
tests/test_quantum_methods.py
tests/test_registry.py
tests/test_reproducibility.py
tests/test_runstore_manifest.py
tests/test_scientific.py
tests/test_spin_lattice.py
tests/test_spin_mc.py
tests/test_srtio3_benchmark.py
tests/test_study.py
tests/test_terminal_ui.py
tests/test_validation_registry.py
tests/test_workflow.py