LICENSE
README.md
pyproject.toml
chemistrykit/__init__.py
chemistrykit/constants.py
chemistrykit/periodic_table.py
chemistrykit.egg-info/PKG-INFO
chemistrykit.egg-info/SOURCES.txt
chemistrykit.egg-info/dependency_links.txt
chemistrykit.egg-info/requires.txt
chemistrykit.egg-info/top_level.txt
chemistrykit/analytical/__init__.py
chemistrykit/analytical/core/__init__.py
chemistrykit/analytical/core/base_system.py
chemistrykit/analytical/systems/__init__.py
chemistrykit/analytical/systems/calibration.py
chemistrykit/analytical/systems/chromatography.py
chemistrykit/analytical/systems/qtest.py
chemistrykit/analytical/systems/titration.py
chemistrykit/analytical/systems/uncertainty.py
chemistrykit/analytical/tests/__init__.py
chemistrykit/analytical/tests/test_calibration.py
chemistrykit/analytical/tests/test_chromatography.py
chemistrykit/analytical/tests/test_qtest.py
chemistrykit/analytical/tests/test_titration.py
chemistrykit/analytical/tests/test_uncertainty.py
chemistrykit/analytical/tests/test_visualizers.py
chemistrykit/analytical/utils/__init__.py
chemistrykit/analytical/utils/regression.py
chemistrykit/analytical/visualizers/__init__.py
chemistrykit/analytical/visualizers/analytical_plots.py
chemistrykit/crystal/__init__.py
chemistrykit/crystal/core/__init__.py
chemistrykit/crystal/core/base_system.py
chemistrykit/crystal/systems/__init__.py
chemistrykit/crystal/systems/crystal_systems.py
chemistrykit/crystal/systems/defects.py
chemistrykit/crystal/systems/lattice_energy.py
chemistrykit/crystal/systems/madelung.py
chemistrykit/crystal/systems/packing.py
chemistrykit/crystal/systems/xrd.py
chemistrykit/crystal/tests/__init__.py
chemistrykit/crystal/tests/test_crystal_systems.py
chemistrykit/crystal/tests/test_defects.py
chemistrykit/crystal/tests/test_lattice_energy.py
chemistrykit/crystal/tests/test_madelung.py
chemistrykit/crystal/tests/test_packing.py
chemistrykit/crystal/tests/test_visualizers.py
chemistrykit/crystal/tests/test_xrd.py
chemistrykit/crystal/utils/__init__.py
chemistrykit/crystal/utils/lattice_sums.py
chemistrykit/crystal/utils/reference_data.py
chemistrykit/crystal/visualizers/__init__.py
chemistrykit/crystal/visualizers/crystal_plots.py
chemistrykit/electrochem/__init__.py
chemistrykit/electrochem/core/__init__.py
chemistrykit/electrochem/core/base_system.py
chemistrykit/electrochem/systems/__init__.py
chemistrykit/electrochem/systems/battery.py
chemistrykit/electrochem/systems/butler_volmer.py
chemistrykit/electrochem/systems/electrolysis.py
chemistrykit/electrochem/systems/nernst.py
chemistrykit/electrochem/systems/standard_potentials.py
chemistrykit/electrochem/tests/__init__.py
chemistrykit/electrochem/tests/test_battery.py
chemistrykit/electrochem/tests/test_butler_volmer.py
chemistrykit/electrochem/tests/test_electrolysis.py
chemistrykit/electrochem/tests/test_nernst.py
chemistrykit/electrochem/tests/test_standard_potentials.py
chemistrykit/electrochem/tests/test_visualizers.py
chemistrykit/electrochem/utils/__init__.py
chemistrykit/electrochem/utils/regression.py
chemistrykit/electrochem/visualizers/__init__.py
chemistrykit/electrochem/visualizers/electrochem_plots.py
chemistrykit/integrators/__init__.py
chemistrykit/integrators/adaptive.py
chemistrykit/integrators/fixed_step.py
chemistrykit/integrators/tests/__init__.py
chemistrykit/integrators/tests/test_integrators.py
chemistrykit/kinetics/__init__.py
chemistrykit/kinetics/core/__init__.py
chemistrykit/kinetics/core/base_system.py
chemistrykit/kinetics/core/integrators.py
chemistrykit/kinetics/systems/__init__.py
chemistrykit/kinetics/systems/arrhenius.py
chemistrykit/kinetics/systems/enzyme.py
chemistrykit/kinetics/systems/networks.py
chemistrykit/kinetics/systems/oscillators.py
chemistrykit/kinetics/systems/rate_laws.py
chemistrykit/kinetics/tests/__init__.py
chemistrykit/kinetics/tests/test_arrhenius.py
chemistrykit/kinetics/tests/test_enzyme.py
chemistrykit/kinetics/tests/test_networks.py
chemistrykit/kinetics/tests/test_oscillators.py
chemistrykit/kinetics/tests/test_rate_laws.py
chemistrykit/kinetics/tests/test_visualizers.py
chemistrykit/kinetics/utils/__init__.py
chemistrykit/kinetics/utils/linear_regression.py
chemistrykit/kinetics/visualizers/__init__.py
chemistrykit/kinetics/visualizers/kinetics_plots.py
chemistrykit/md/__init__.py
chemistrykit/md/core/__init__.py
chemistrykit/md/core/base_system.py
chemistrykit/md/systems/__init__.py
chemistrykit/md/systems/lj_fluid.py
chemistrykit/md/systems/pair_potentials.py
chemistrykit/md/systems/thermostats.py
chemistrykit/md/tests/__init__.py
chemistrykit/md/tests/test_lj_fluid.py
chemistrykit/md/tests/test_pair_potentials.py
chemistrykit/md/tests/test_pbc.py
chemistrykit/md/tests/test_thermostats.py
chemistrykit/md/tests/test_visualizers.py
chemistrykit/md/utils/__init__.py
chemistrykit/md/utils/neighbor_list.py
chemistrykit/md/utils/pbc.py
chemistrykit/md/visualizers/__init__.py
chemistrykit/md/visualizers/md_plots.py
chemistrykit/photochem/__init__.py
chemistrykit/photochem/core/__init__.py
chemistrykit/photochem/core/base_system.py
chemistrykit/photochem/systems/__init__.py
chemistrykit/photochem/systems/jablonski.py
chemistrykit/photochem/systems/photostationary_state.py
chemistrykit/photochem/systems/quantum_yield.py
chemistrykit/photochem/systems/stern_volmer.py
chemistrykit/photochem/tests/__init__.py
chemistrykit/photochem/tests/test_jablonski.py
chemistrykit/photochem/tests/test_photostationary_state.py
chemistrykit/photochem/tests/test_quantum_yield.py
chemistrykit/photochem/tests/test_stern_volmer.py
chemistrykit/photochem/tests/test_visualizers.py
chemistrykit/photochem/utils/__init__.py
chemistrykit/photochem/utils/regression.py
chemistrykit/photochem/visualizers/__init__.py
chemistrykit/photochem/visualizers/photochem_plots.py
chemistrykit/polymer/__init__.py
chemistrykit/polymer/core/__init__.py
chemistrykit/polymer/core/base_system.py
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chemistrykit/polymer/systems/chain_growth.py
chemistrykit/polymer/systems/chain_statistics.py
chemistrykit/polymer/systems/molecular_weight_distribution.py
chemistrykit/polymer/systems/step_growth.py
chemistrykit/polymer/tests/__init__.py
chemistrykit/polymer/tests/test_chain_growth.py
chemistrykit/polymer/tests/test_chain_statistics.py
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chemistrykit/polymer/tests/test_step_growth.py
chemistrykit/polymer/tests/test_visualizers.py
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chemistrykit/polymer/utils/moments.py
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chemistrykit/polymer/visualizers/polymer_plots.py
chemistrykit/quantum/__init__.py
chemistrykit/quantum/core/__init__.py
chemistrykit/quantum/core/base_system.py
chemistrykit/quantum/systems/__init__.py
chemistrykit/quantum/systems/harmonic_oscillator.py
chemistrykit/quantum/systems/hartree_fock.py
chemistrykit/quantum/systems/huckel.py
chemistrykit/quantum/systems/hydrogenlike.py
chemistrykit/quantum/systems/particle_in_box.py
chemistrykit/quantum/systems/perturbation.py
chemistrykit/quantum/systems/rigid_rotor.py
chemistrykit/quantum/tests/__init__.py
chemistrykit/quantum/tests/test_harmonic_oscillator.py
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chemistrykit/quantum/tests/test_huckel.py
chemistrykit/quantum/tests/test_hydrogenlike.py
chemistrykit/quantum/tests/test_particle_in_box.py
chemistrykit/quantum/tests/test_perturbation.py
chemistrykit/quantum/tests/test_rigid_rotor.py
chemistrykit/quantum/tests/test_secular_equation.py
chemistrykit/quantum/tests/test_visualizers.py
chemistrykit/quantum/utils/__init__.py
chemistrykit/quantum/utils/basis_sets.py
chemistrykit/quantum/utils/secular_equation.py
chemistrykit/quantum/visualizers/__init__.py
chemistrykit/quantum/visualizers/quantum_plots.py
chemistrykit/solutions/__init__.py
chemistrykit/solutions/core/__init__.py
chemistrykit/solutions/core/base_system.py
chemistrykit/solutions/systems/__init__.py
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chemistrykit/solutions/systems/activity.py
chemistrykit/solutions/systems/solubility.py
chemistrykit/solutions/systems/titration.py
chemistrykit/solutions/tests/__init__.py
chemistrykit/solutions/tests/test_acid_base.py
chemistrykit/solutions/tests/test_activity.py
chemistrykit/solutions/tests/test_solubility.py
chemistrykit/solutions/tests/test_titration.py
chemistrykit/solutions/tests/test_visualizers.py
chemistrykit/solutions/utils/__init__.py
chemistrykit/solutions/utils/rootfinding.py
chemistrykit/solutions/visualizers/__init__.py
chemistrykit/solutions/visualizers/solutions_plots.py
chemistrykit/spectro/__init__.py
chemistrykit/spectro/core/__init__.py
chemistrykit/spectro/core/base_system.py
chemistrykit/spectro/systems/__init__.py
chemistrykit/spectro/systems/beer_lambert.py
chemistrykit/spectro/systems/electronic.py
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chemistrykit/spectro/systems/rotational.py
chemistrykit/spectro/systems/vibrational.py
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chemistrykit/spectro/tests/test_beer_lambert.py
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chemistrykit/spectro/tests/test_lineshapes.py
chemistrykit/spectro/tests/test_nmr.py
chemistrykit/spectro/tests/test_rotational.py
chemistrykit/spectro/tests/test_spectrum.py
chemistrykit/spectro/tests/test_vibrational.py
chemistrykit/spectro/tests/test_visualizers.py
chemistrykit/spectro/utils/__init__.py
chemistrykit/spectro/utils/lineshapes.py
chemistrykit/spectro/visualizers/__init__.py
chemistrykit/spectro/visualizers/spectro_plots.py
chemistrykit/statmech/__init__.py
chemistrykit/statmech/core/__init__.py
chemistrykit/statmech/core/base_system.py
chemistrykit/statmech/systems/__init__.py
chemistrykit/statmech/systems/lattice_gas.py
chemistrykit/statmech/systems/maxwell_boltzmann.py
chemistrykit/statmech/systems/partition_functions.py
chemistrykit/statmech/tests/__init__.py
chemistrykit/statmech/tests/test_lattice_gas.py
chemistrykit/statmech/tests/test_maxwell_boltzmann.py
chemistrykit/statmech/tests/test_partition_functions.py
chemistrykit/statmech/tests/test_visualizers.py
chemistrykit/statmech/utils/__init__.py
chemistrykit/statmech/utils/combinatorics.py
chemistrykit/statmech/utils/thermal_wavelength.py
chemistrykit/statmech/visualizers/__init__.py
chemistrykit/statmech/visualizers/statmech_plots.py
chemistrykit/structure/__init__.py
chemistrykit/structure/core/__init__.py
chemistrykit/structure/core/base_system.py
chemistrykit/structure/systems/__init__.py
chemistrykit/structure/systems/bonding.py
chemistrykit/structure/systems/lewis.py
chemistrykit/structure/systems/point_group.py
chemistrykit/structure/systems/vsepr.py
chemistrykit/structure/tests/__init__.py
chemistrykit/structure/tests/test_bonding.py
chemistrykit/structure/tests/test_lewis.py
chemistrykit/structure/tests/test_molecule.py
chemistrykit/structure/tests/test_point_group.py
chemistrykit/structure/tests/test_visualizers.py
chemistrykit/structure/tests/test_vsepr.py
chemistrykit/structure/utils/__init__.py
chemistrykit/structure/utils/symmetry_ops.py
chemistrykit/structure/visualizers/__init__.py
chemistrykit/structure/visualizers/structure_plots.py
chemistrykit/surface/__init__.py
chemistrykit/surface/core/__init__.py
chemistrykit/surface/core/base_system.py
chemistrykit/surface/systems/__init__.py
chemistrykit/surface/systems/bet.py
chemistrykit/surface/systems/catalysis.py
chemistrykit/surface/systems/freundlich.py
chemistrykit/surface/systems/langmuir.py
chemistrykit/surface/systems/langmuir_hinshelwood.py
chemistrykit/surface/tests/__init__.py
chemistrykit/surface/tests/test_bet.py
chemistrykit/surface/tests/test_catalysis.py
chemistrykit/surface/tests/test_freundlich.py
chemistrykit/surface/tests/test_langmuir.py
chemistrykit/surface/tests/test_langmuir_hinshelwood.py
chemistrykit/surface/tests/test_visualizers.py
chemistrykit/surface/utils/__init__.py
chemistrykit/surface/utils/regression.py
chemistrykit/surface/visualizers/__init__.py
chemistrykit/surface/visualizers/surface_plots.py
chemistrykit/tests/__init__.py
chemistrykit/tests/test_package.py
chemistrykit/thermo/__init__.py
chemistrykit/thermo/core/__init__.py
chemistrykit/thermo/core/base_system.py
chemistrykit/thermo/systems/__init__.py
chemistrykit/thermo/systems/equations_of_state.py
chemistrykit/thermo/systems/equilibrium.py
chemistrykit/thermo/systems/mixtures.py
chemistrykit/thermo/systems/phase_equilibria.py
chemistrykit/thermo/tests/__init__.py
chemistrykit/thermo/tests/test_equations_of_state.py
chemistrykit/thermo/tests/test_equilibrium.py
chemistrykit/thermo/tests/test_mixtures.py
chemistrykit/thermo/tests/test_phase_equilibria.py
chemistrykit/thermo/tests/test_visualizers.py
chemistrykit/thermo/utils/__init__.py
chemistrykit/thermo/utils/cubic_roots.py
chemistrykit/thermo/utils/regression.py
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chemistrykit/thermo/visualizers/thermo_plots.py