| mdsuite/database/database_base.py | 80 | A 0 mins |
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| mdsuite/database/experiment_database.py | 347 | C 7 hrs |
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| mdsuite/database/mdsuite_properties.py | 70 | A 0 mins |
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| mdsuite/database/project_database.py | 67 | A 0 mins |
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| mdsuite/database/scheme.py | 280 | A 2 hrs |
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| mdsuite/database/simulation_database.py | 572 | D 1 day |
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| mdsuite/database/types.py | 59 | A 0 mins |
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| mdsuite/experiment/__init__.py | 22 | A 0 mins |
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| mdsuite/experiment/experiment.py | 554 | C 1 day |
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| mdsuite/experiment/run.py | 177 | B 4 hrs |
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| mdsuite/experiment/run_module.py | 64 | A 0 mins |
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| mdsuite/file_io/__init__.py | 20 | A 0 mins |
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| mdsuite/file_io/chemfiles_read.py | 130 | A 1 hr |
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| mdsuite/file_io/extxyz_files.py | 243 | A 2 hrs |
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| mdsuite/file_io/file_read.py | 66 | A 0 mins |
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| mdsuite/file_io/lammps_flux_files.py | 130 | A 35 mins |
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| mdsuite/file_io/lammps_trajectory_files.py | 239 | A 1 hr |
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| mdsuite/file_io/script_input.py | 37 | A 0 mins |
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| mdsuite/file_io/tabular_text_files.py | 242 | A 45 mins |
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| mdsuite/graph_modules/__init__.py | 20 | A 0 mins |
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| mdsuite/graph_modules/adjacency_matrix.py | 25 | A 0 mins |
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| mdsuite/graph_modules/molecular_graph.py | 351 | C 7 hrs |
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| mdsuite/memory_management/__init__.py | 22 | A 0 mins |
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| mdsuite/memory_management/memory_manager.py | 319 | B 5 hrs |
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| mdsuite/project/__init__.py | 22 | A 0 mins |
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| mdsuite/project/project.py | 273 | A 3 hrs |
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| mdsuite/time_series/__init__.py | 22 | A 0 mins |
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| mdsuite/time_series/base.py | 88 | A 0 mins |
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| mdsuite/time_series/energies.py | 31 | A 0 mins |
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| mdsuite/transformations/__init__.py | 48 | A 0 mins |
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| mdsuite/transformations/integrated_heat_current.py | 48 | A 0 mins |
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| mdsuite/transformations/ionic_current.py | 46 | A 0 mins |
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| mdsuite/transformations/kinaci_integrated_heat_current.py | 68 | A 0 mins |
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| mdsuite/transformations/map_molecules.py | 232 | A 50 mins |
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| mdsuite/transformations/momentum_flux.py | 43 | A 0 mins |
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| mdsuite/transformations/scale_coordinates.py | 42 | A 0 mins |
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| mdsuite/transformations/test_trafos.py | 74 | A 0 mins |
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| mdsuite/transformations/thermal_flux.py | 71 | A 0 mins |
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| mdsuite/transformations/transformation_dict.py | 51 | A 0 mins |
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| mdsuite/transformations/transformations.py | 537 | C 1 day |
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| mdsuite/transformations/translational_dipole_moment.py | 49 | A 0 mins |
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| mdsuite/transformations/unwrap_coordinates.py | 58 | A 0 mins |
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| mdsuite/transformations/unwrap_via_indices.py | 44 | A 0 mins |
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| mdsuite/transformations/velocity_from_positions.py | 45 | A 0 mins |
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| mdsuite/transformations/wrap_coordinates.py | 57 | A 0 mins |
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| mdsuite/utils/__init__.py | 26 | A 0 mins |
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| mdsuite/utils/calculator_helper_methods.py | 140 | A 0 mins |
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| mdsuite/utils/colours.py | 11 | A 0 mins |
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| mdsuite/utils/config.py | 44 | A 0 mins |
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| mdsuite/utils/constants.py | 27 | A 0 mins |
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