LICENSE
README.md
pyproject.toml
src/goldilocks_core/__init__.py
src/goldilocks_core/bundle.py
src/goldilocks_core/capabilities.py
src/goldilocks_core/checks.py
src/goldilocks_core/failures.py
src/goldilocks_core/functionals.py
src/goldilocks_core/kmesh.py
src/goldilocks_core/plan.py
src/goldilocks_core/resolution.py
src/goldilocks_core/serialization.py
src/goldilocks_core/set_overrides.py
src/goldilocks_core/step_settings.py
src/goldilocks_core/steps.py
src/goldilocks_core/system_settings.py
src/goldilocks_core/types.py
src/goldilocks_core/validation.py
src/goldilocks_core.egg-info/PKG-INFO
src/goldilocks_core.egg-info/SOURCES.txt
src/goldilocks_core.egg-info/dependency_links.txt
src/goldilocks_core.egg-info/entry_points.txt
src/goldilocks_core.egg-info/requires.txt
src/goldilocks_core.egg-info/top_level.txt
src/goldilocks_core/advisors/__init__.py
src/goldilocks_core/advisors/boundary.py
src/goldilocks_core/advisors/convergence.py
src/goldilocks_core/advisors/cutoffs.py
src/goldilocks_core/advisors/dos.py
src/goldilocks_core/advisors/electron_count.py
src/goldilocks_core/advisors/functional.py
src/goldilocks_core/advisors/hubbard_u.py
src/goldilocks_core/advisors/job_resources.py
src/goldilocks_core/advisors/k_sampling.py
src/goldilocks_core/advisors/magnetic_config.py
src/goldilocks_core/advisors/magnetic_ordering_ml.py
src/goldilocks_core/advisors/n_irr_k.py
src/goldilocks_core/advisors/nbnd.py
src/goldilocks_core/advisors/occupations.py
src/goldilocks_core/advisors/parallelisation.py
src/goldilocks_core/advisors/pseudo_selection.py
src/goldilocks_core/advisors/relax.py
src/goldilocks_core/advisors/size.py
src/goldilocks_core/advisors/vdw_method.py
src/goldilocks_core/advisors/warning_catalogue.py
src/goldilocks_core/analysis/__init__.py
src/goldilocks_core/analysis/composition.py
src/goldilocks_core/analysis/geometry.py
src/goldilocks_core/analysis/is_magnetic.py
src/goldilocks_core/analysis/is_metal.py
src/goldilocks_core/analysis/needs_correlation.py
src/goldilocks_core/analysis/needs_soc.py
src/goldilocks_core/analysis/symmetry.py
src/goldilocks_core/assets/__init__.py
src/goldilocks_core/assets/download.py
src/goldilocks_core/assets/profiles.py
src/goldilocks_core/assets/records.py
src/goldilocks_core/assets/runtime.py
src/goldilocks_core/assets/store.py
src/goldilocks_core/assets/pseudopotentials/__init__.py
src/goldilocks_core/assets/pseudopotentials/importers.py
src/goldilocks_core/assets/pseudopotentials/registry.py
src/goldilocks_core/assets/pseudopotentials/registry.toml
src/goldilocks_core/assets/pseudopotentials/upf.py
src/goldilocks_core/cli/__init__.py
src/goldilocks_core/cli/_assets.py
src/goldilocks_core/cli/_capabilities.py
src/goldilocks_core/cli/_common.py
src/goldilocks_core/cli/_explain.py
src/goldilocks_core/cli/_inspect.py
src/goldilocks_core/cli/_magnetic_orderings.py
src/goldilocks_core/cli/_models.py
src/goldilocks_core/cli/_run.py
src/goldilocks_core/cli/_serve.py
src/goldilocks_core/cli/_settings.py
src/goldilocks_core/cli/core.py
src/goldilocks_core/examples/__init__.py
src/goldilocks_core/examples/structures.py
src/goldilocks_core/examples/structures/Fe_bcc.cif
src/goldilocks_core/examples/structures/Pt_fcc.cif
src/goldilocks_core/examples/structures/README.md
src/goldilocks_core/examples/structures/Si.cif
src/goldilocks_core/generation/__init__.py
src/goldilocks_core/generation/errors.py
src/goldilocks_core/generation/files.py
src/goldilocks_core/generation/quantum_espresso/__init__.py
src/goldilocks_core/generation/quantum_espresso/dos.py
src/goldilocks_core/generation/quantum_espresso/namelists.py
src/goldilocks_core/generation/quantum_espresso/relax.py
src/goldilocks_core/generation/quantum_espresso/scf.py
src/goldilocks_core/inputs/__init__.py
src/goldilocks_core/inputs/hpc.py
src/goldilocks_core/inputs/overrides.py
src/goldilocks_core/inputs/structure.py
src/goldilocks_core/inputs/task.py
src/goldilocks_core/inputs/profiles/__init__.py
src/goldilocks_core/inputs/profiles/scarf.toml
src/goldilocks_core/ml/__init__.py
src/goldilocks_core/ml/models.py
src/goldilocks_core/ml/predict.py
src/goldilocks_core/ml/registry.toml
src/goldilocks_core/server/__init__.py
src/goldilocks_core/server/_handlers.py
src/goldilocks_core/server/documents.py
src/goldilocks_core/server/http.py
src/goldilocks_core/server/mcp.py
src/goldilocks_core/server/readiness.py
src/goldilocks_core/service/__init__.py
src/goldilocks_core/service/_advice.py
src/goldilocks_core/service/_analysis.py
src/goldilocks_core/service/_bundle.py
src/goldilocks_core/service/_dos.py
src/goldilocks_core/service/_generate.py
src/goldilocks_core/service/_magnetic_orderings.py
src/goldilocks_core/service/_pipeline.py
src/goldilocks_core/service/_pseudo.py
src/goldilocks_core/service/_relax.py
src/goldilocks_core/service/_step.py
src/goldilocks_core/service/_step_kpoints.py
src/goldilocks_core/service/_step_resources.py
src/goldilocks_core/service/_system.py
src/goldilocks_core/service/_system_overrides.py
src/goldilocks_core/submission/__init__.py
src/goldilocks_core/submission/errors.py
src/goldilocks_core/submission/slurm.py
src/goldilocks_core/webapp/index.html
src/goldilocks_core/webapp/assets/3Dmol-CH11c7he.js
src/goldilocks_core/webapp/assets/index-6fThHI--.js
src/goldilocks_core/webapp/assets/index-De6eucZn.css
src/goldilocks_core/webapp/brand/goldilocks-logo.png