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docs/sphinx/source/tutorial1/tutorial.rst

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@@ -157,8 +157,10 @@ interacting through a Lennard-Jones (LJ) potential with a cut-off equal
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to :math:`r_c = 4.0` length units :cite:`wang2020lennard,fischer2023history`:
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.. math::
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E_{ij}(r) = 4 \epsilon_{ij} \left[ \left( \dfrac{\sigma_{ij}}{r} \right)^{12}
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- \left( \dfrac{\sigma_{ij}}{r} \right)^{6} \right], \quad \text{for} \quad r < r_c,
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:label: eq_LJ
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E_{ij}(r) = 4 \epsilon_{ij} \left[ \left( \dfrac{\sigma_{ij}}{r} \right)^{12}
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- \left( \dfrac{\sigma_{ij}}{r} \right)^{6} \right], \quad \text{for} \quad r < r_c,
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where :math:`r` is the inter-particle distance, :math:`\epsilon_{ij}` is
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the depth of the potential well that determines the interaction strength, and
@@ -264,7 +266,7 @@ created at random positions within the simulation box, with some in very
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close proximity to each other. This proximity results in a large
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initial potential energy due to the repulsive branch of the
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Lennard-Jones potential [i.e.,~the term in :math:`1/r^{12}` in
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Eq. INSERT EQUATION]. As the energy minimization progresses, the energy
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Eq. :eq:`eq_LJ`]. As the energy minimization progresses, the energy
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decreases - first rapidly - then more gradually, before plateauing at a
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negative value. This indicates that the atoms have moved to reasonable
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distances from one another.

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