| CI/unit_tests/utils/test_calculator_helper_methods.py | 93 | F 3 days |
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| CI/unit_tests/utils/test_constants.py | 8 | A 0 mins |
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| CI/unit_tests/utils/test_helpers.py | 43 | A 0 mins |
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| CI/unit_tests/utils/test_meta_functions.py | 209 | A 0 mins |
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| CI/unit_tests/utils/test_testing.py | 82 | A 0 mins |
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| CI/unit_tests/utils/test_units.py | 7 | A 0 mins |
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| CITATION.cff | |
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| CONTRIBUTING.md | |
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| LICENSE | |
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| MANIFEST.in | |
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| README.md | |
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| dev-requirements.txt | |
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| docs/make.bat | |
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| docs/source/_architecture/data_structures.rst | |
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| docs/source/_architecture/memory_management.rst | |
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| docs/source/_developer_docs/faq.rst | |
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| docs/source/_developer_docs/implementing_a_post_analysis_calculator.rst | |
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| docs/source/_developer_docs/implementing_a_trajectory_calculator.rst | |
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| docs/source/_developer_docs/implementing_calculators.rst | |
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| docs/source/_installation/mac_silicon.rst | |
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| docs/source/_modules/mdsuite.calculators.angular_distribution_function.rst | |
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| docs/source/_modules/mdsuite.calculators.calculator.rst | |
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| docs/source/_modules/mdsuite.calculators.coordination_number_calculation.rst | |
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| docs/source/_modules/mdsuite.calculators.einstein_diffusion_coefficients.rst | |
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| docs/source/_modules/mdsuite.calculators.einstein_distinct_diffusion_coefficients.rst | |
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| docs/source/_modules/mdsuite.calculators.einstein_helfand_ionic_conductivity.rst | |
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| docs/source/_modules/mdsuite.calculators.einstein_helfand_thermal_conductivity.rst | |
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| docs/source/_modules/mdsuite.calculators.einstein_helfand_thermal_kinaci.rst | |
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| docs/source/_modules/mdsuite.calculators.green_kubo_distinct_diffusion_coefficients.rst | |
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| docs/source/_modules/mdsuite.calculators.green_kubo_ionic_conductivity.rst | |
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| docs/source/_modules/mdsuite.calculators.green_kubo_self_diffusion_coefficients.rst | |
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| docs/source/_modules/mdsuite.calculators.green_kubo_thermal_conductivity.rst | |
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| docs/source/_modules/mdsuite.calculators.green_kubo_viscosity.rst | |
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| docs/source/_modules/mdsuite.calculators.green_kubo_viscosity_flux.rst | |
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| docs/source/_modules/mdsuite.calculators.kirkwood_buff_integrals.rst | |
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| docs/source/_modules/mdsuite.calculators.nernst_einstein_ionic_conductivity.rst | |
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| docs/source/_modules/mdsuite.calculators.potential_of_mean_force.rst | |
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| docs/source/_modules/mdsuite.calculators.radial_distribution_function.rst | |
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| docs/source/_modules/mdsuite.calculators.rst | |
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| docs/source/_modules/mdsuite.calculators.spatial_distribution_function.rst | |
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| docs/source/_modules/mdsuite.calculators.structure_factor.rst | |
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| docs/source/_modules/mdsuite.calculators.trajectory_calculator.rst | |
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| docs/source/_modules/mdsuite.calculators.transformations_reference.rst | |
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| docs/source/_modules/mdsuite.data.rst | |
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| docs/source/_modules/mdsuite.database.calculator_database.rst | |
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| docs/source/_modules/mdsuite.database.data_manager.rst | |
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