.gitignore

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# C extensions
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# SageMath parsed files
*.sage.py

# Environments
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# Pyre type checker
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# PyCharm
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# RStudio project files
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# MacOS
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#Environments
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#General
simple_cas_planted_solutions_mod.ipynb
tests/temp/*
tests/restart/*
ferm_utils.py
tests/temp2/*
data_for_testing/*
config_store/*
data_storage/*
submit_script_examples/*
submit_script_examples.tar.gz
dmrg_single_loop_run.py
prep_2.py
cc_installation_commands.txt
run_command.txt
aasdf.sh
26_pc_energy_extrapolation_EDMRG_bond_dims.pdf
file_list.txt
i_moved_myself/*
extract_dmrg_results_incompletely_processed_data.ipynb
tests/data_storage/*
tmp/*
HEADER_FILE.py
fcidump.test
block2_fcidump.ipynb
tests/model_hami/*
tests/scratch_sim/*
prepare_calcs*.py
model_hami_store/*
31_4a_convergence.pdf
run_command_model_hamis.txt
hamiltonian_folder_correlation.txt
run_command_mo_n2_schrock.txt
run_command_catalysts_up_to_hs_40.txt
examples/extract_process_dmrg_results_20240501_catalyst_14_to_27_h_space.ipynb
examples/extract_process_dmrg_results_20240501_catalyst_up_to_h_space_14.ipynb
examples/extract_process_dmrg_results_20240502_catalyst_27_to_40_h_space.ipynb
examples/extract_process_dmrg_results_20240502_catalyst_up_to_h_space_20.ipynb
examples/extract_process_dmrg_results_mo_n2_pincer_4a.ipynb
examples/extract_process_dmrg_results_mo_n2_pincer_reac_1.ipynb
examples/extract_process_dmrg_results_mo_n2_schrock.ipynb
examples/extract_process_dmrg_results_small_catalysts.ipynb
examples/extract_process_21_29_rerun.ipynb
examples/extrapolation_planted_solutions.ipynb
run_command_mem_recording.txt
mem_plot.py
examples/plotting_pres.ipynb
examples/extrapolation_pres.ipynb
mem_investigation_31.ipynb
mem_investigation_24.ipynb
examples/extract_process_9_10_11_12_new.ipynb
run_command_schrock_reverse.txt
examples/extrapolation_reverse_schedule.ipynb
run_command_reorder.txt
data_storage_paper_data.csv
mem_collation.ipynb
run_command_mo_n2_pincer_fiedler.txt

examples/extrapolation_ferrocene.ipynb
dmrg_results_9_test.hdf5
run_command_ferrocene_new_active_space.txt
run_command_nitrogen_fixation_fielder_fixed_memory.txt
examples/extract_process_dmrg_results_app_paper_ferrocene.ipynb
examples/extract_process_dmrg_results_app_paper_schrock_more_sweeps.ipynb
excited_state_dev.ipynb
mutual_information_testing.ipynb
svd_testing.ipynb
examples/28_2_convergence.pdf
block2_rc_install_notes.txt
pyproject copy.toml
examples/extrapolation_new_fcidumps.ipynb
examples/extract_process_dmrg_results_new_fcidump_pincer.ipynb
run_command_new_fcidumps.txt
run_command_new_fcidumps_gaopt_exchange.txt
examples/extract_process_dmrg_results_new_fcidumps_nitrogen_fixation.ipynb
examples/extrapolation_new_fcidumps_nitrogen_fixation.ipynb
examples/extrapolation_reverse_schedule_new_fcidumps.ipynb
examples/fcidump.*
examples/solution_file_generation.ipynb
examples/solution.schema.0.0.1.json
tests/restart_temp_*/*
catalyst_checkpoint_files/*
*.chk
/*.csv
downfolding_output/*
/*.ipynb
/*.pdf
/fcidump*
/*.py
/*.txt
/*.json
dmrghandling_practical/*
tmp_dir/*