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added figure legend
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simongravelle committed Dec 31, 2023
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16 changes: 12 additions & 4 deletions docs/source/illustrations/lennard-jones-fluids.rst
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<a href="https://github.com/simongravelle/nmrformd-data" target="_blank">repository</a>

Results
-------

.. container:: justify

The correlation function :math:`G^(0)` was first extract for two temperatures, :math:`T = 50`
and :math:`140\,\text{K}`, and compared with the correlation functions reported by Grivet :cite:`grivetNMRRelaxationParameters2005`.
Our results show an excellent agreement with the results from Grivet, thus validating the
NMR formalism used here as well as the LJ system and parameters.

.. image:: ../figures/illustrations/lennard-jones-fluid/G_correlation-dark.png
:class: only-dark
:alt: NMR results obtained from the LAMMPS simulation of water
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.. container:: figurelegend

Figure: NMR relaxation times :math:`T_1` (disks) and
:math:`T_2` (squares) as a function
of the frequency :math:`f` for
the :math:`\text{PEG-H}_2\text{O}` bulk mixture.
Figure: Correlation function :math:`G^(0)` as extracted from the LJ fluid simulation
for two different temperatures, and compared with the data from Grivet :cite:`grivetNMRRelaxationParameters2005` (open symbols).

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