Path |
Digest |
Size |
physical_validation/__init__.py |
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physical_validation/_version.py |
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498 |
physical_validation/ensemble.py |
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24817 |
physical_validation/integrator.py |
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4303 |
physical_validation/kinetic_energy.py |
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|
14022 |
physical_validation/data/__init__.py |
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1646 |
physical_validation/data/ensemble_data.py |
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5380 |
physical_validation/data/flatfile_parser.py |
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7662 |
physical_validation/data/gromacs_parser.py |
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14435 |
physical_validation/data/lammps_parser.py |
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21237 |
physical_validation/data/observable_data.py |
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10276 |
physical_validation/data/parser.py |
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physical_validation/data/simulation_data.py |
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physical_validation/data/system_data.py |
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10093 |
physical_validation/data/trajectory_data.py |
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physical_validation/data/unit_data.py |
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physical_validation/tests/__init__.py |
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physical_validation/tests/test_data_flatfile_parser.py |
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physical_validation/tests/test_data_gromacs_parser.py |
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physical_validation/tests/test_data_lammps_parser.py |
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physical_validation/tests/test_data_observable_data.py |
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physical_validation/tests/test_data_simulation_data.py |
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physical_validation/tests/test_data_trajectory_data.py |
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2839 |
physical_validation/tests/test_ensemble.py |
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2860 |
physical_validation/tests/test_ensemble_regression.py |
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physical_validation/tests/test_integrator.py |
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physical_validation/tests/test_integrator_regression.py |
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physical_validation/tests/test_kinetic_energy_regression.py |
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physical_validation/tests/test_physical_validation.py |
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physical_validation/tests/test_util_ensemble.py |
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physical_validation/tests/test_util_kinetic_energy.py |
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physical_validation/tests/test_util_util.py |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_interval_estimate_NPT_.txt |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_interval_estimate_NPT_.yml |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_interval_estimate_NVT_.txt |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_interval_estimate_NVT_.yml |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_interval_estimate_muVT_.txt |
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1115 |
physical_validation/tests/test_ensemble_regression/test_ensemble_regression_interval_estimate_muVT_.yml |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_interval_estimate_muVT_multi_.txt |
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2093 |
physical_validation/tests/test_ensemble_regression/test_ensemble_regression_interval_estimate_muVT_multi_.yml |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Pressure_or_chemical_potential_only_NPT_.png |
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190288 |
physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Pressure_or_chemical_potential_only_NPT_.txt |
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3547 |
physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Pressure_or_chemical_potential_only_NPT_.yml |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Pressure_or_chemical_potential_only_muVT_.png |
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173330 |
physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Pressure_or_chemical_potential_only_muVT_.txt |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Pressure_or_chemical_potential_only_muVT_.yml |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Pressure_or_chemical_potential_only_muVT_multi_.png |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Pressure_or_chemical_potential_only_muVT_multi_.txt |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Pressure_or_chemical_potential_only_muVT_multi_.yml |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Temperature_and_pressure_or_chemical_potential_NPT_.txt |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Temperature_and_pressure_or_chemical_potential_NPT_.yml |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Temperature_and_pressure_or_chemical_potential_muVT_.txt |
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3764 |
physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Temperature_and_pressure_or_chemical_potential_muVT_.yml |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Temperature_and_pressure_or_chemical_potential_muVT_multi_.txt |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Temperature_and_pressure_or_chemical_potential_muVT_multi_.yml |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Temperature_only_NPT_.png |
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194641 |
physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Temperature_only_NPT_.txt |
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3508 |
physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Temperature_only_NPT_.yml |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Temperature_only_muVT_.png |
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188757 |
physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Temperature_only_muVT_.txt |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Temperature_only_muVT_.yml |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_npt_muvt_Temperature_only_muVT_multi_.txt |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_nvt.png |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_nvt.txt |
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physical_validation/tests/test_ensemble_regression/test_ensemble_regression_nvt.yml |
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physical_validation/tests/test_kinetic_energy_regression/test_kinetic_energy_regression_distribution.txt |
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physical_validation/tests/test_kinetic_energy_regression/test_kinetic_energy_regression_distribution.yml |
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physical_validation/tests/test_kinetic_energy_regression/test_kinetic_energy_regression_equipartition.txt |
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physical_validation/tests/test_kinetic_energy_regression/test_kinetic_energy_regression_equipartition.yml |
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physical_validation/util/kinetic_energy.py |
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physical_validation/util/plot.py |
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physical_validation/util/trajectory.py |
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physical_validation/util/util.py |
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physical_validation-1.0.5.dist-info/METADATA |
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physical_validation-1.0.5.dist-info/WHEEL |
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physical_validation-1.0.5.dist-info/top_level.txt |
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physical_validation-1.0.5.dist-info/RECORD |
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