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