CHANGELOG.md
LICENSE
MANIFEST.in
README.md
SECURITY.md
pyproject.toml
quantui/__init__.py
quantui/analytics.py
quantui/app.py
quantui/app_analysis.py
quantui/app_builders.py
quantui/app_exports.py
quantui/app_formatters.py
quantui/app_history.py
quantui/app_launcher.py
quantui/app_measurement.py
quantui/app_pes_pick.py
quantui/app_runflow.py
quantui/app_slurm.py
quantui/app_visualization.py
quantui/app_xyz_input.py
quantui/ase_bridge.py
quantui/benchmarks.py
quantui/c_stderr.py
quantui/cactus.py
quantui/calc_log.py
quantui/calculator.py
quantui/cancellation.py
quantui/checkpoint.py
quantui/cli.py
quantui/comparison.py
quantui/config.py
quantui/connectivity.py
quantui/density_fitting.py
quantui/descriptor_cards.py
quantui/estimator_eval.py
quantui/freq_calc.py
quantui/freq_ir_workers.py
quantui/freq_raman_workers.py
quantui/gpu_offload.py
quantui/help_content.py
quantui/inorganic_guards.py
quantui/ir_plot.py
quantui/issue_tracker.py
quantui/live_log.py
quantui/log_utils.py
quantui/measurement.py
quantui/molecule.py
quantui/molecule_library.py
quantui/mulliken_plot.py
quantui/nmr_calc.py
quantui/nmr_plot.py
quantui/optimizer.py
quantui/orbital_visualization.py
quantui/pes_scan.py
quantui/pes_scan_ui.py
quantui/populations_overlay.py
quantui/preopt.py
quantui/progress.py
quantui/pubchem.py
quantui/raman_calc.py
quantui/raman_plot.py
quantui/reorganization_energy.py
quantui/results_storage.py
quantui/security.py
quantui/session_calc.py
quantui/spin_presets.py
quantui/structure_providers.py
quantui/tddft_calc.py
quantui/theme.py
quantui/user_settings.py
quantui/utils.py
quantui/vib_cache.py
quantui/visualization_py3dmol.py
quantui/viz_assets.py
quantui/viz_backend_router.py
quantui/xyz_input.py
quantui.egg-info/PKG-INFO
quantui.egg-info/SOURCES.txt
quantui.egg-info/dependency_links.txt
quantui.egg-info/entry_points.txt
quantui.egg-info/requires.txt
quantui.egg-info/top_level.txt
quantui/backends/__init__.py
quantui/backends/base.py
quantui/backends/cluster_config.py
quantui/backends/cluster_security.py
quantui/backends/dispatch.py
quantui/backends/local.py
quantui/backends/registry.py
quantui/backends/slurm.py
quantui/backends/slurm_errors.py
quantui/backends/slurm_ingest.py
quantui/backends/slurm_utils.py
quantui/backends/worker.py
quantui/backends/worker_payload.py
quantui/data/js/3Dmol-min.js
quantui/data/js/3Dmol-min.js.LICENSE.txt
quantui/data/library/library.sqlite
quantui/data/manifests/bulk_qm9.json
quantui/data/manifests/curated.json
quantui/data/manifests/inorganic.json
quantui/data/manifests/presets.json