.gitignore
AGENTS.md
CLAUDE.md
LICENSE
MANIFEST.in
README.md
pyproject.toml
.github/workflows/main.yml
benchmarks/README.md
benchmarks/__init__.py
benchmarks/cases.py
benchmarks/common.py
benchmarks/models.py
benchmarks/run_profile.py
benchmarks/run_single_layer.py
benchmarks/timing.py
documents/Makefile
documents/benchmark_system_design.md
documents/conf.py
documents/grid_metallicity_definition.md
documents/index.rst
documents/_static/exogibbs_logo.png
documents/exogibbs/conf.py
documents/ipynb/chemical_potential.ipynb
documents/ipynb/tce_two_species.ipynb
documents/presets/fastchem.rst
documents/presets/ykb4.rst
examples/GALLERY_HEADER.rst
examples/benchmark/clfac_yk.py
examples/benchmark/newton_iteration_profile.py
examples/benchmark/single_solve_benchmark.py
examples/comparisons/benchmark_extended.py
examples/comparisons/check_recompile.py
examples/comparisons/comparison_with_fastchem.py
examples/comparisons/comparison_with_fastchem_extended.py
examples/comparisons/comparison_with_fastchem_initializer.py
examples/comparisons/comparison_with_fastchem_initializer_extended.py
examples/comparisons/comparison_with_hcosystem.py
examples/comparisons/comparison_with_hsystem.py
examples/comparisons/comparison_with_ykcode.py
examples/data/p10.txt
examples/data/yk.list
examples/grids/grid_generation_v0_1.py
examples/grids/grid_generation_v0_1_extended.py
examples/layers/layer_ykb4.py
examples/numpyro/example_nuts.py
examples/works/grid_generation_by_hand.py
examples/works/grid_interpolation_by_hand.py
examples/works/grid_smoke_test_by_hand.md
logs/optimization_notes_fastchem_extended.md
results/README.md
src/exogibbs/__init__.py
src/exogibbs/exogibbs_version.py
src/exogibbs.egg-info/PKG-INFO
src/exogibbs.egg-info/SOURCES.txt
src/exogibbs.egg-info/dependency_links.txt
src/exogibbs.egg-info/requires.txt
src/exogibbs.egg-info/top_level.txt
src/exogibbs/api/__init__.py
src/exogibbs/api/chemistry.py
src/exogibbs/api/equilibrium.py
src/exogibbs/api/equilibrium_grid.py
src/exogibbs/data/fastchem/README.md
src/exogibbs/data/fastchem/element_abundances/README.TXT
src/exogibbs/data/fastchem/element_abundances/asplund_2009.dat
src/exogibbs/data/fastchem/element_abundances/asplund_2009_extended.dat
src/exogibbs/data/fastchem/element_abundances/asplund_2020.dat
src/exogibbs/data/fastchem/element_abundances/asplund_2020_extended.dat
src/exogibbs/data/fastchem/element_abundances/lodders_2003.dat
src/exogibbs/data/fastchem/element_abundances/lodders_2003_extended.dat
src/exogibbs/data/fastchem/logK/README.TXT
src/exogibbs/data/fastchem/logK/logK.dat
src/exogibbs/data/fastchem/logK/logK_condensates.dat
src/exogibbs/data/fastchem/logK/logK_extended.dat
src/exogibbs/data/fastchem/logK/logK_wo_ions.dat
src/exogibbs/data/grids/fastchem/grid_exogibbs.nc
src/exogibbs/data/grids/fastchem_extended/grid_exogibbs_extended.nc
src/exogibbs/data/test/janaf_raw_sample.txt
src/exogibbs/data/test/matrix_v3.dat
src/exogibbs/data/test/testdata.dat
src/exogibbs/data/ykb4/gibbs_matrices.npz
src/exogibbs/data/ykb4/molecule_names.csv
src/exogibbs/equilibrium/__init__.py
src/exogibbs/equilibrium/gibbs.py
src/exogibbs/io/__init__.py
src/exogibbs/io/load_data.py
src/exogibbs/optimize/__init__.py
src/exogibbs/optimize/core.py
src/exogibbs/optimize/minimize.py
src/exogibbs/optimize/vjpgibbs.py
src/exogibbs/presets/__init__.py
src/exogibbs/presets/fastchem.py
src/exogibbs/presets/ykb4.py
src/exogibbs/test/__init__.py
src/exogibbs/test/analytic_hcosystem.py
src/exogibbs/test/analytic_hsystem.py
src/exogibbs/test/generate_gibbs.py
src/exogibbs/test/reference_data.py
src/exogibbs/thermo/__init__.py
src/exogibbs/thermo/gibbs.py
src/exogibbs/thermo/stoichiometry.py
src/exogibbs/utils/__init__.py
src/exogibbs/utils/constants.py
src/exogibbs/utils/elements.py
src/exogibbs/utils/nameparser.py
tests/unittests/api/chemistry_bvector_test.py
tests/unittests/api/chemsetup_smoke_test.py
tests/unittests/api/equilibrium_api_test.py
tests/unittests/api/equilibrium_grid_test.py
tests/unittests/api/equilibrium_jit_grad_test.py
tests/unittests/api/equilibrium_profile_test.py
tests/unittests/benchmarks/run_profile_test.py
tests/unittests/equilibrium/gibbs_test.py
tests/unittests/io/formula_matrix_reference_vs_computed_test.py
tests/unittests/io/load_data_test.py
tests/unittests/optimize/lagrange/hcosystem_test.py
tests/unittests/optimize/lagrange/lagrange_test.py
tests/unittests/optimize/lagrange/minimize_test.py
tests/unittests/optimize/lagrange/minimize_vmap_test.py