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| mdsuite/calculators/__init__.py | 79 | A 0 mins |
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| mdsuite/calculators/angular_distribution_function.py | 495 | C 1 day |
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| mdsuite/calculators/calculator.py | 248 | A 1 hr |
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| mdsuite/calculators/coordination_number_calculation.py | 325 | B 4 hrs |
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| mdsuite/calculators/einstein_diffusion_coefficients.py | 265 | B 4 hrs |
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| mdsuite/calculators/einstein_distinct_diffusion_coefficients.py | 284 | B 4 hrs |
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| mdsuite/calculators/einstein_helfand_ionic_conductivity.py | 183 | A 35 mins |
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| mdsuite/calculators/einstein_helfand_thermal_conductivity.py | 206 | A 35 mins |
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| mdsuite/calculators/einstein_helfand_thermal_kinaci.py | 207 | A 35 mins |
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| mdsuite/calculators/green_kubo_distinct_diffusion_coefficients.py | 300 | B 4 hrs |
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| mdsuite/calculators/green_kubo_ionic_conductivity.py | 253 | A 2 hrs |
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| mdsuite/calculators/green_kubo_self_diffusion_coefficients.py | 275 | B 4 hrs |
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| mdsuite/calculators/green_kubo_thermal_conductivity.py | 223 | A 35 mins |
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| mdsuite/calculators/green_kubo_viscosity.py | 218 | A 35 mins |
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| mdsuite/calculators/green_kubo_viscosity_flux.py | 214 | A 35 mins |
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| mdsuite/calculators/kirkwood_buff_integrals.py | 173 | A 0 mins |
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| mdsuite/calculators/nernst_einstein_ionic_conductivity.py | 352 | B 5 hrs |
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| mdsuite/calculators/potential_of_mean_force.py | 308 | B 4 hrs |
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| mdsuite/calculators/radial_distribution_function.py | 713 | D 2 days |
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| mdsuite/calculators/spatial_distribution_function.py | 267 | B 4 hrs |
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| mdsuite/calculators/structure_factor.py | 303 | A 3 hrs |
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| mdsuite/calculators/trajectory_calculator.py | 340 | B 4 hrs |
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| mdsuite/database/data_manager.py | 304 | D 1 day |
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