typeset mixing rules with embedded math

This commit is contained in:
Axel Kohlmeyer
2020-03-01 08:51:29 -05:00
parent 8662733dcd
commit 2455e35fd8

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@ -90,30 +90,29 @@ See the doc page for individual pair styles for those restrictions. Note also t
coefficients for a specific I != J pairing, in which case no mixing is
performed.
mix *geometric*
- mix *geometric*
.. parsed-literal::
.. math::
epsilon_ij = sqrt(epsilon_i \* epsilon_j)
sigma_ij = sqrt(sigma_i \* sigma_j)
\epsilon_{ij} = & \sqrt{\epsilon_i \epsilon_j} \\
\sigma_{ij} = & \sqrt{\sigma_i \sigma_j}
mix *arithmetic*
- mix *arithmetic*
.. parsed-literal::
.. math::
epsilon_ij = sqrt(epsilon_i \* epsilon_j)
sigma_ij = (sigma_i + sigma_j) / 2
\epsilon_{ij} = & \sqrt{\epsilon_i \epsilon_j} \\
\sigma_{ij} = & \frac{1}{2} (\sigma_i + \sigma_j)
mix *sixthpower*
- mix *sixthpower*
.. parsed-literal::
.. math::
epsilon_ij = (2 \* sqrt(epsilon_i\*epsilon_j) \* sigma_i\^3 \* sigma_j\^3) /
(sigma_i\^6 + sigma_j\^6)
sigma_ij = ((sigma_i\*\*6 + sigma_j\*\*6) / 2) \^ (1/6)
\epsilon_{ij} = & \frac{2 \sqrt{\epsilon_i \epsilon_j} \sigma_i^3 \sigma_j^3}{\sigma_i^6 + \sigma_j^6} \\
\sigma_{ij} = & \left(\frac{1}{2} (\sigma_i^6 + \sigma_j^6) \right)^{\frac{1}{6}}
The *shift* keyword determines whether a Lennard-Jones potential is
shifted at its cutoff to 0.0. If so, this adds an energy term to each