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Sample
******
The static and dynamic structure factors as well as current correlation functions generated by the main :ref:`analysis functions <correlation_functions>` are stored in :class:`Sample` objects.
Information about the **dynamic correlations** generated by the :func:`compute_dynamic_structure_factors <dynasor.compute_dynamic_structure_factors>` function is provided in the form of a :class:`DynamicSample <dynasor.sample.DynamicSample>` object.
The latter allows one to access, for example, the intermediate scattering functions via the following attributes:
.. list-table::
:widths: 15 70 15
:header-rows: 1
:class: tight-table
* - Attribute
- Explanation
- Symbol
* - :attr:`Fqt_coh_A_B`
- partial coherent intermediate scattering function for atom types A and B
- :math:`F(\boldsymbol{q},t)_\mathrm{AB}^\mathrm{coh}`
* - :attr:`Fqt_coh`
- total coherent intermediate scattering function
- :math:`F(\boldsymbol{q},t)^\mathrm{coh}`
* - :attr:`Fqt_incoh_A`
- partial incoherent intermediate scattering function for atom type A
- :math:`F(\boldsymbol{q},t)_\mathrm{A}^\mathrm{incoh}`
* - :attr:`Fqt_incoh`
- total incoherent intermediate scattering function
- :math:`F(\boldsymbol{q},t)^\mathrm{incoh}`
* - :attr:`Fqt`
- total intermediate scattering function
- :math:`F(\boldsymbol{q},t)^\mathrm{coh} + F(\boldsymbol{q},t)^\mathrm{incoh}`
Similarly, one can access
* dynamic structure factors :math:`S(\boldsymbol{q}, \omega)` via attributes starting with :attr:`Sqw`
* the longitudinal and transverse current correlation functions in the time domain, :math:`C_L(\boldsymbol{q}, t)` and :math:`C_T(\boldsymbol{q}, t)`, via attributes starting with :attr:`Clqt` and :attr:`Ctqt`, respectively, and
* the longitudinal and transverse current correlation functions in the frequency domain, :math:`C_L(\boldsymbol{q}, \omega)` and :math:`C_T(\boldsymbol{q}, \omega)`, via attributes starting with :attr:`Clqw` and :attr:`Ctqw`, respectively.
Information about **static correlations** can be obtained via the :func:`compute_static_structure_factors <dynasor.compute_static_structure_factors>` function, which returns a :class:`StaticSample <dynasor.sample.StaticSample>` object.
The latter allows one to access the static structure factor via the attribute :attr:`Sq`.
.. autofunction:: dynasor.read_sample_from_npz
.. autoclass:: dynasor.sample.DynamicSample
:members:
:inherited-members:
.. autoclass:: dynasor.sample.StaticSample
:members:
:inherited-members:
|
