CHANGELOG.md
CITATION.cff
LICENSE
MANIFEST.in
NOTICE.md
README.md
pyproject.toml
docs/desktop.md
docs/examples.md
docs/harness-sources.md
docs/harness.md
docs/input-defaults.md
docs/install.md
docs/legacy-scope.md
docs/memory-sources.md
docs/memory.md
docs/methods.md
docs/models.md
docs/project-workspace.md
docs/qe-superconductivity.md
docs/qe.md
docs/quickstart.md
docs/structures.md
docs/token-use.md
docs/validation-0.2.0.md
docs/validation-0.2.1.md
docs/validation-0.3.0.md
docs/validation-0.3.1.md
docs/validation-0.4.0.md
docs/validation-0.4.1.md
docs/validation-0.4.4.md
docs/validation.md
docs/windows.md
docs/workflows.md
docs/assets/dft-agent-logo.png
docs/assets/dft-agent-logo.svg
docs/assets/workflow.png
examples/Al.cif
examples/C.cif
examples/CrCl3.cif
examples/CrCl3.vasp
examples/CrOCl-MoS2.cif
examples/CrOCl-MoS2.vasp
examples/CrOCl.cif
examples/CrOCl.vasp
examples/CrPS4.cif
examples/CrPS4.vasp
examples/CrSBr.cif
examples/CrSBr.vasp
examples/Cu.cif
examples/GaFe2O4.cif
examples/GaFe2O4.vasp
examples/Ge.cif
examples/In2Se3.cif
examples/In2Se3.vasp
examples/MgB2.vasp
examples/MgO.cif
examples/NaCl.cif
examples/Si.cif
examples/SiC.cif
examples/SrTiO3.cif
examples/V2Te2O.cif
examples/V2Te2O.vasp
examples/VSe2.cif
examples/VSe2.vasp
examples/qe-mgb2-pseudos.json
examples/qe-mgb2-stages.json
examples/sources.json
src/dft_agent.egg-info/PKG-INFO
src/dft_agent.egg-info/SOURCES.txt
src/dft_agent.egg-info/dependency_links.txt
src/dft_agent.egg-info/entry_points.txt
src/dft_agent.egg-info/requires.txt
src/dft_agent.egg-info/top_level.txt
src/vasp_slurm_agent/__init__.py
src/vasp_slurm_agent/agent.py
src/vasp_slurm_agent/agent_runner.py
src/vasp_slurm_agent/app.py
src/vasp_slurm_agent/batch.py
src/vasp_slurm_agent/batch_context.py
src/vasp_slurm_agent/cli.py
src/vasp_slurm_agent/cli_tools.py
src/vasp_slurm_agent/config.py
src/vasp_slurm_agent/connections.py
src/vasp_slurm_agent/continuation.py
src/vasp_slurm_agent/conversation.py
src/vasp_slurm_agent/conversation_app.py
src/vasp_slurm_agent/conversation_store.py
src/vasp_slurm_agent/credentials.py
src/vasp_slurm_agent/desktop.py
src/vasp_slurm_agent/discovery.py
src/vasp_slurm_agent/dispatch.py
src/vasp_slurm_agent/experience.py
src/vasp_slurm_agent/explanation.py
src/vasp_slurm_agent/gpu.py
src/vasp_slurm_agent/guidance.py
src/vasp_slurm_agent/i18n.py
src/vasp_slurm_agent/knowledge.py
src/vasp_slurm_agent/legacy_inputs.py
src/vasp_slurm_agent/magnetic.py
src/vasp_slurm_agent/mcp_server.py
src/vasp_slurm_agent/methods.py
src/vasp_slurm_agent/model_usage.py
src/vasp_slurm_agent/notify.py
src/vasp_slurm_agent/numerical_defaults.py
src/vasp_slurm_agent/paths.py
src/vasp_slurm_agent/postprocessing.py
src/vasp_slurm_agent/project_agent.py
src/vasp_slurm_agent/project_analysis.py
src/vasp_slurm_agent/project_app.py
src/vasp_slurm_agent/project_artifacts.py
src/vasp_slurm_agent/project_cli.py
src/vasp_slurm_agent/project_context.py
src/vasp_slurm_agent/project_execution.py
src/vasp_slurm_agent/project_files.py
src/vasp_slurm_agent/project_input_artifacts.py
src/vasp_slurm_agent/prompt_context.py
src/vasp_slurm_agent/providers.py
src/vasp_slurm_agent/qe.py
src/vasp_slurm_agent/qe_agent.py
src/vasp_slurm_agent/qe_app.py
src/vasp_slurm_agent/qe_context.py
src/vasp_slurm_agent/qe_continuation.py
src/vasp_slurm_agent/qe_eph.py
src/vasp_slurm_agent/qe_epw.py
src/vasp_slurm_agent/qe_guidance.py
src/vasp_slurm_agent/qe_nc_pseudos.json
src/vasp_slurm_agent/qe_pairing.py
src/vasp_slurm_agent/qe_pairing_agent.py
src/vasp_slurm_agent/qe_pairing_app.py
src/vasp_slurm_agent/qe_pairing_workflow.py
src/vasp_slurm_agent/qe_pseudos.json
src/vasp_slurm_agent/qe_reasoning.py
src/vasp_slurm_agent/qe_setup.py
src/vasp_slurm_agent/qe_wannier.py
src/vasp_slurm_agent/qe_workflow.py
src/vasp_slurm_agent/recovery.py
src/vasp_slurm_agent/restart.py
src/vasp_slurm_agent/runtime.py
src/vasp_slurm_agent/samples.py
src/vasp_slurm_agent/scheduler.py
src/vasp_slurm_agent/script_workflow.py
src/vasp_slurm_agent/secret_guard.py
src/vasp_slurm_agent/settings.py
src/vasp_slurm_agent/setup_app.py
src/vasp_slurm_agent/setup_assistant.py
src/vasp_slurm_agent/ssh_auth.py
src/vasp_slurm_agent/ssh_broker.py
src/vasp_slurm_agent/structure_agent.py
src/vasp_slurm_agent/structure_view.py
src/vasp_slurm_agent/structures.py
src/vasp_slurm_agent/task_agent.py
src/vasp_slurm_agent/transport.py
src/vasp_slurm_agent/ui_style.py
src/vasp_slurm_agent/updates.py
src/vasp_slurm_agent/vasp.py
src/vasp_slurm_agent/vaspkit.py
src/vasp_slurm_agent/windows_ssh.py
src/vasp_slurm_agent/workflow.py
src/vasp_slurm_agent/workspace.py
src/vasp_slurm_agent/clusters/bscc.json
src/vasp_slurm_agent/clusters/dardel.json
src/vasp_slurm_agent/clusters/generic.json
src/vasp_slurm_agent/clusters/tetralith.json
src/vasp_slurm_agent/examples/Al.cif
src/vasp_slurm_agent/examples/C.cif
src/vasp_slurm_agent/examples/CrCl3.cif
src/vasp_slurm_agent/examples/CrCl3.vasp
src/vasp_slurm_agent/examples/CrOCl-MoS2.cif
src/vasp_slurm_agent/examples/CrOCl-MoS2.vasp
src/vasp_slurm_agent/examples/CrOCl.cif
src/vasp_slurm_agent/examples/CrOCl.vasp
src/vasp_slurm_agent/examples/CrPS4.cif
src/vasp_slurm_agent/examples/CrPS4.vasp
src/vasp_slurm_agent/examples/CrSBr.cif
src/vasp_slurm_agent/examples/CrSBr.vasp
src/vasp_slurm_agent/examples/Cu.cif
src/vasp_slurm_agent/examples/GaFe2O4.cif
src/vasp_slurm_agent/examples/GaFe2O4.vasp
src/vasp_slurm_agent/examples/Ge.cif
src/vasp_slurm_agent/examples/In2Se3.cif
src/vasp_slurm_agent/examples/In2Se3.vasp
src/vasp_slurm_agent/examples/MgB2.vasp
src/vasp_slurm_agent/examples/MgO.cif
src/vasp_slurm_agent/examples/NaCl.cif
src/vasp_slurm_agent/examples/Si.cif
src/vasp_slurm_agent/examples/SiC.cif
src/vasp_slurm_agent/examples/SrTiO3.cif
src/vasp_slurm_agent/examples/V2Te2O.cif
src/vasp_slurm_agent/examples/V2Te2O.vasp
src/vasp_slurm_agent/examples/VSe2.cif
src/vasp_slurm_agent/examples/VSe2.vasp
src/vasp_slurm_agent/examples/qe-mgb2-pseudos.json
src/vasp_slurm_agent/examples/qe-mgb2-stages.json
src/vasp_slurm_agent/examples/sources.json
src/vasp_slurm_agent/knowledge/catalog.json
src/vasp_slurm_agent/knowledge/evidence/integrity-checks.json
src/vasp_slurm_agent/knowledge/evidence/legacy-inventory.json
src/vasp_slurm_agent/knowledge/evidence/source-checks.json
src/vasp_slurm_agent/knowledge/evidence/fe-collinear/receipt.json
src/vasp_slurm_agent/knowledge/evidence/fe-collinear/02_scf/INCAR
src/vasp_slurm_agent/knowledge/evidence/fe-collinear/02_scf/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/fe-collinear/02_scf/POSCAR
src/vasp_slurm_agent/knowledge/evidence/fe-soc/receipt.json
src/vasp_slurm_agent/knowledge/evidence/fe-soc/02_scf/INCAR
src/vasp_slurm_agent/knowledge/evidence/fe-soc/02_scf/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/fe-soc/02_scf/POSCAR
src/vasp_slurm_agent/knowledge/evidence/missing-output/receipt.json
src/vasp_slurm_agent/knowledge/evidence/missing-output/01_scf/INCAR
src/vasp_slurm_agent/knowledge/evidence/missing-output/01_scf/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/missing-output/01_scf/POSCAR
src/vasp_slurm_agent/knowledge/evidence/nio-hse06-u-soc/receipt.json
src/vasp_slurm_agent/knowledge/evidence/nio-hse06-u-soc/01_scf/INCAR
src/vasp_slurm_agent/knowledge/evidence/nio-hse06-u-soc/01_scf/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/nio-hse06-u-soc/01_scf/POSCAR
src/vasp_slurm_agent/knowledge/evidence/nio-u/receipt.json
src/vasp_slurm_agent/knowledge/evidence/nio-u/02_scf/INCAR
src/vasp_slurm_agent/knowledge/evidence/nio-u/02_scf/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/nio-u/02_scf/POSCAR
src/vasp_slurm_agent/knowledge/evidence/repair-electronic/receipt.json
src/vasp_slurm_agent/knowledge/evidence/repair-electronic/after/INCAR
src/vasp_slurm_agent/knowledge/evidence/repair-electronic/after/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/repair-electronic/after/POSCAR
src/vasp_slurm_agent/knowledge/evidence/repair-electronic/before/INCAR
src/vasp_slurm_agent/knowledge/evidence/repair-electronic/before/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/repair-electronic/before/POSCAR
src/vasp_slurm_agent/knowledge/evidence/repair-ionic/receipt.json
src/vasp_slurm_agent/knowledge/evidence/repair-ionic/after/INCAR
src/vasp_slurm_agent/knowledge/evidence/repair-ionic/after/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/repair-ionic/after/POSCAR
src/vasp_slurm_agent/knowledge/evidence/repair-ionic/before/INCAR
src/vasp_slurm_agent/knowledge/evidence/repair-ionic/before/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/repair-ionic/before/POSCAR
src/vasp_slurm_agent/knowledge/evidence/repair-walltime/receipt.json
src/vasp_slurm_agent/knowledge/evidence/repair-walltime/after/INCAR
src/vasp_slurm_agent/knowledge/evidence/repair-walltime/after/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/repair-walltime/after/POSCAR
src/vasp_slurm_agent/knowledge/evidence/repair-walltime/before/INCAR
src/vasp_slurm_agent/knowledge/evidence/repair-walltime/before/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/repair-walltime/before/POSCAR
src/vasp_slurm_agent/knowledge/evidence/si-hse06/receipt.json
src/vasp_slurm_agent/knowledge/evidence/si-hse06/03_bands/INCAR
src/vasp_slurm_agent/knowledge/evidence/si-hse06/03_bands/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/si-hse06/03_bands/POSCAR
src/vasp_slurm_agent/knowledge/evidence/si-pbe/receipt.json
src/vasp_slurm_agent/knowledge/evidence/si-pbe/01_relax/INCAR
src/vasp_slurm_agent/knowledge/evidence/si-pbe/01_relax/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/si-pbe/01_relax/POSCAR
src/vasp_slurm_agent/knowledge/evidence/si-pbe/02_scf/INCAR
src/vasp_slurm_agent/knowledge/evidence/si-pbe/02_scf/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/si-pbe/02_scf/POSCAR
src/vasp_slurm_agent/knowledge/evidence/si-pbe/03_bands/INCAR
src/vasp_slurm_agent/knowledge/evidence/si-pbe/03_bands/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/si-pbe/03_bands/POSCAR
src/vasp_slurm_agent/knowledge/evidence/si-pbe/04_dos/INCAR
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src/vasp_slurm_agent/knowledge/evidence/si-pbe/04_dos/POSCAR
src/vasp_slurm_agent/knowledge/evidence/si-pbe0/receipt.json
src/vasp_slurm_agent/knowledge/evidence/si-pbe0/03_bands/INCAR
src/vasp_slurm_agent/knowledge/evidence/si-pbe0/03_bands/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/si-pbe0/03_bands/POSCAR
src/vasp_slurm_agent/knowledge/evidence/vasp5-hybrid-bands/receipt.json
src/vasp_slurm_agent/knowledge/evidence/vasp5-hybrid-bands/03_bands/INCAR
src/vasp_slurm_agent/knowledge/evidence/vasp5-hybrid-bands/03_bands/KPOINTS
src/vasp_slurm_agent/knowledge/evidence/vasp5-hybrid-bands/03_bands/POSCAR
src/vasp_slurm_agent/migrations/001_workspace.sql
src/vasp_slurm_agent/migrations/002_connections.sql
src/vasp_slurm_agent/migrations/003_credential_slots.sql
src/vasp_slurm_agent/migrations/004_step_attempts.sql
src/vasp_slurm_agent/samples/fe-seed-comparison/config.json
src/vasp_slurm_agent/samples/fe-seed-comparison/plan.json
src/vasp_slurm_agent/samples/fe-seed-comparison/run.json
src/vasp_slurm_agent/samples/fe-seed-comparison/sample.json
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/inputs/INCAR
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/inputs/KPOINTS
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/inputs/POSCAR
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/inputs/metadata.json
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/inputs/submit.sh
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/outputs/CONTCAR
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/outputs/DOSCAR
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/outputs/EIGENVAL
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src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/outputs/artifact_manifest.json
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/outputs/execution.json
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/outputs/final_structure.cif
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/outputs/final_structure.vasp
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/outputs/input_hashes.sha256
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/outputs/metadata.json
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/outputs/potcar_hash.sha256
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/outputs/potcar_titles.txt
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/outputs/result.json
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/outputs/slurm.err
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/outputs/slurm.out
src/vasp_slurm_agent/samples/fe-seed-comparison/01_scf_nm/outputs/vasprun.xml
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/inputs/INCAR
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/inputs/KPOINTS
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/inputs/POSCAR
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src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/inputs/submit.sh
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/CONTCAR
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/DOSCAR
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/EIGENVAL
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/INCAR
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/KPOINTS
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/OSZICAR
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src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/final_structure.cif
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/final_structure.vasp
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/input_hashes.sha256
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/magnetization.json
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/metadata.json
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/potcar_hash.sha256
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/potcar_titles.txt
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src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/slurm.err
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/slurm.out
src/vasp_slurm_agent/samples/fe-seed-comparison/02_scf_fm/outputs/vasprun.xml
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/inputs/INCAR
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/inputs/KPOINTS
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/inputs/POSCAR
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src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/inputs/submit.sh
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/CONTCAR
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/DOSCAR
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/EIGENVAL
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/INCAR
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/KPOINTS
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/OSZICAR
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/OUTCAR
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/POSCAR
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/artifact_manifest.json
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/execution.json
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/final_structure.cif
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/final_structure.vasp
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/input_hashes.sha256
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/magnetization.json
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/metadata.json
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/potcar_hash.sha256
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/potcar_titles.txt
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/result.json
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/slurm.err
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/slurm.out
src/vasp_slurm_agent/samples/fe-seed-comparison/03_scf_afm/outputs/vasprun.xml
src/vasp_slurm_agent/samples/fe-seed-comparison/source/comparison/POSCAR
src/vasp_slurm_agent/samples/fe-seed-comparison/source/input/fe-seed-comparison.vasp
src/vasp_slurm_agent/samples/mgo-cell-relax/config.json
src/vasp_slurm_agent/samples/mgo-cell-relax/plan.json
src/vasp_slurm_agent/samples/mgo-cell-relax/run.json
src/vasp_slurm_agent/samples/mgo-cell-relax/sample.json
src/vasp_slurm_agent/samples/mgo-cell-relax/01_relax/inputs/INCAR
src/vasp_slurm_agent/samples/mgo-cell-relax/01_relax/inputs/KPOINTS
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validation/results/failures.json
validation/results/features-0.3.0.json
validation/results/harness.json
validation/results/hybrid-orbitals-0.2.0.json
validation/results/input-defaults-0.4.1.json
validation/results/installed-0.3.0.json
validation/results/installed-explanation-0.2.1.json
validation/results/installed-wheel-0.2.0.json
validation/results/installed-wheel.json
validation/results/memory-0.3.1.json
validation/results/methods-0.2.0.json
validation/results/methods-audit-0.2.0.json
validation/results/recovery.json
validation/results/restart.json
validation/results/structures-0.3.0.json
validation/results/tasks-0.4.0.json
validation/results/token-use-0.3.0.json
validation/results/transport.json
validation/tasks-0.4.0/001_fm-u3/01_scf/INCAR
validation/tasks-0.4.0/001_fm-u3/01_scf/KPOINTS
validation/tasks-0.4.0/001_fm-u3/01_scf/POSCAR
validation/tasks-0.4.0/002_afm-u3/01_scf/INCAR
validation/tasks-0.4.0/002_afm-u3/01_scf/KPOINTS
validation/tasks-0.4.0/002_afm-u3/01_scf/POSCAR
validation/tasks-0.4.0/003_afm-u4/01_scf/INCAR
validation/tasks-0.4.0/003_afm-u4/01_scf/KPOINTS
validation/tasks-0.4.0/003_afm-u4/01_scf/POSCAR
validation/tasks-0.4.0/004_afm-u3-x1pct/01_scf/INCAR
validation/tasks-0.4.0/004_afm-u3-x1pct/01_scf/KPOINTS
validation/tasks-0.4.0/004_afm-u3-x1pct/01_scf/POSCAR
validation/tasks-0.4.0/continued-dos-live/01_scf/INCAR
validation/tasks-0.4.0/continued-dos-live/01_scf/KPOINTS
validation/tasks-0.4.0/continued-dos-live/01_scf/POSCAR
validation/tasks-0.4.0/continued-dos-live/02_dos/INCAR
validation/tasks-0.4.0/continued-dos-live/02_dos/KPOINTS
validation/tasks-0.4.0/continued-dos-live/02_dos/POSCAR
validation/tasks-0.4.0/edited-soc-live/01_relax/INCAR
validation/tasks-0.4.0/edited-soc-live/01_relax/KPOINTS
validation/tasks-0.4.0/edited-soc-live/01_relax/POSCAR
validation/tasks-0.4.0/edited-soc-live/02_scf/INCAR
validation/tasks-0.4.0/edited-soc-live/02_scf/KPOINTS
validation/tasks-0.4.0/edited-soc-live/02_scf/POSCAR
validation/tasks-0.4.0/edited-soc-live/03_bands/INCAR
validation/tasks-0.4.0/edited-soc-live/03_bands/KPOINTS
validation/tasks-0.4.0/edited-soc-live/03_bands/POSCAR
validation/tasks-0.4.0/pbe-hse-live/01_relax/INCAR
validation/tasks-0.4.0/pbe-hse-live/01_relax/KPOINTS
validation/tasks-0.4.0/pbe-hse-live/01_relax/POSCAR
validation/tasks-0.4.0/pbe-hse-live/02_bands/INCAR
validation/tasks-0.4.0/pbe-hse-live/02_bands/KPOINTS
validation/tasks-0.4.0/pbe-hse-live/02_bands/POSCAR
validation/token-use/README.md
validation/token-use/run_benchmark.py
validation/token-use/large-geometry/POSCAR
validation/token-use/large-geometry/baseline.payload.json
validation/token-use/large-geometry/baseline.response.json
validation/token-use/large-geometry/baseline.usage-events.json
validation/token-use/large-geometry/expected.json
validation/token-use/large-geometry/instructions.txt
validation/token-use/large-geometry/optimized.payload.json
validation/token-use/large-geometry/optimized.response.json
validation/token-use/large-geometry/optimized.usage-events.json
validation/token-use/large-geometry/pair-spec.json
validation/token-use/large-geometry/schema.json
validation/token-use/long-revision/POSCAR
validation/token-use/long-revision/baseline.payload.json
validation/token-use/long-revision/baseline.response.json
validation/token-use/long-revision/baseline.usage-events.json
validation/token-use/long-revision/expected.json
validation/token-use/long-revision/instructions.txt
validation/token-use/long-revision/optimized.payload.json
validation/token-use/long-revision/optimized.response.json
validation/token-use/long-revision/optimized.usage-events.json
validation/token-use/long-revision/pair-spec.json
validation/token-use/long-revision/schema.json
validation/token-use/retrieved-advisory/POSCAR
validation/token-use/retrieved-advisory/baseline.payload.json
validation/token-use/retrieved-advisory/baseline.response.json
validation/token-use/retrieved-advisory/baseline.usage-events.json
validation/token-use/retrieved-advisory/expected.json
validation/token-use/retrieved-advisory/instructions.txt
validation/token-use/retrieved-advisory/optimized.payload.json
validation/token-use/retrieved-advisory/optimized.response.json
validation/token-use/retrieved-advisory/optimized.usage-events.json
validation/token-use/retrieved-advisory/pair-spec.json
validation/token-use/retrieved-advisory/schema.json