├── LICENSE.txt ├── NOTICE ├── Plot_generation.ipynb ├── README.md ├── config └── config.json ├── cost_calculator.py ├── experiments.sh ├── femoco.py ├── interaction_picture.py ├── main.py ├── molecule.py ├── parameters ├── CO2_6-31G_100 ├── NaCl_6-31G_100 ├── O2_6-31G_100 ├── O2_6-31G_160 ├── O3_6-31G_100 ├── ammonia_6-31G_100 ├── ammonia_6-31G_160 ├── h2_6-31G_100 ├── h2_6-31G_160 ├── hydrofluoric acid_6-31G_100 ├── hydrofluoric acid_6-31G_160 ├── methane_6-31G_100 ├── methane_6-31G_160 ├── water_6-31G_100 └── water_6-31G_160 ├── plane_waves_methods.py ├── qrom_methods.py ├── results ├── FeMoCo_Li.txt ├── FeMoCo_Reiher.txt ├── cost_plot.pdf ├── gaussian_vs_plane.pdf ├── results_100.csv └── results_160.csv ├── snippets ├── cost_plot.png ├── example_FeMoco_sparsity_low_rank.md ├── example_add_new_method.md ├── example_h2_all_methods.md ├── example_h2_sparsity_low_rank.md ├── example_plot_comparison.md ├── example_plot_gaussians_vs_plane.md └── gaussian_vs_plane.jpg ├── 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