.flake8
.gitignore
.pre-commit-config.yaml
.readthedocs.yml
LICENSE
README.md
environment.yml
mkdocs.yml
requirements-docs.txt
requirements-optional.txt
requirements-testing.txt
requirements.txt
setup.cfg
setup.py
.github/dependabot.yml
.github/workflows/post-process.yml
.github/workflows/release.yml
.github/workflows/testing.yml
docs/CHANGELOG.md
docs/analysis.md
docs/core.md
docs/entries.md
docs/helpers.md
docs/index.md
docs/reaction.md
docs/images/logo.png
notebooks/demo.ipynb
src/__init__.py
src/reaction_network.egg-info/PKG-INFO
src/reaction_network.egg-info/SOURCES.txt
src/reaction_network.egg-info/dependency_links.txt
src/reaction_network.egg-info/not-zip-safe
src/reaction_network.egg-info/requires.txt
src/reaction_network.egg-info/top_level.txt
src/rxn_network/__init__.py
src/rxn_network/py.typed
src/rxn_network/utils.py
src/rxn_network/core/__init__.py
src/rxn_network/core/calculator.py
src/rxn_network/core/cost_function.py
src/rxn_network/core/enumerator.py
src/rxn_network/core/network.py
src/rxn_network/core/pathway.py
src/rxn_network/core/reaction.py
src/rxn_network/core/solver.py
src/rxn_network/costs/__init__.py
src/rxn_network/costs/calculators.py
src/rxn_network/costs/softplus.py
src/rxn_network/data/README.md
src/rxn_network/data/__init__.py
src/rxn_network/data/compounds.json
src/rxn_network/data/elements.json
src/rxn_network/data/gases.json
src/rxn_network/entries/__init__.py
src/rxn_network/entries/entry_set.py
src/rxn_network/entries/gibbs.py
src/rxn_network/entries/nist.py
src/rxn_network/enumerators/__init__.py
src/rxn_network/enumerators/basic.py
src/rxn_network/enumerators/minimize.py
src/rxn_network/enumerators/utils.py
src/rxn_network/firetasks/__init__.py
src/rxn_network/firetasks/build_inputs.py
src/rxn_network/firetasks/parse_outputs.py
src/rxn_network/firetasks/run_calc.py
src/rxn_network/firetasks/utils.py
src/rxn_network/fireworks/__init__.py
src/rxn_network/fireworks/core.py
src/rxn_network/network/__init__.py
src/rxn_network/network/entry.py
src/rxn_network/network/network.py
src/rxn_network/network/utils.py
src/rxn_network/network/visualize.py
src/rxn_network/network/adaptors/__init__.py
src/rxn_network/network/adaptors/gt.py
src/rxn_network/pathways/__init__.py
src/rxn_network/pathways/balanced.py
src/rxn_network/pathways/basic.py
src/rxn_network/pathways/solver.py
src/rxn_network/pathways/utils.py
src/rxn_network/reactions/__init__.py
src/rxn_network/reactions/basic.py
src/rxn_network/reactions/computed.py
src/rxn_network/reactions/open.py
src/rxn_network/reactions/reaction_set.py
src/rxn_network/reactions/utils.py
src/rxn_network/thermo/__init__.py
src/rxn_network/thermo/chempot_diagram.py
src/rxn_network/thermo/chempot_layouts.py
src/rxn_network/thermo/utils.py
tests/conftest.py
tests/test_basic_reaction.py
tests/test_computed_reaction.py
tests/test_entry_set.py
tests/test_gibbs_entry.py
tests/test_nist_entry.py
tests/test_open_reaction.py
tests/test_reaction_set.py
tests/test_files/Mn-O_entries.json
tests/test_files/structure_CO2.json
tests/test_files/structure_LiFe4P4O16.json