deploy: a7fd307

Author: simongravelle

sphinx/build/doctrees/environment.pickle

@@ -188,8 +188,8 @@ tutorials, with the important exception of ``pair_coeff O WALL``,
 pairwise interactions were only assigned between atoms of identical
 types.  By default, LAMMPS calculates the pair coefficients for the
 interactions between atoms of different types (i and j) by using
-geometric average: :math:`\epsilon_{ij} = (\epsilon_{ii} + \epsilon_{jj})/2`,
-:math:`\sigma_{ij} = (\sigma_{ii} + \sigma_{jj})/2`.  However, if the default
+geometric average: :math:`\epsilon_{ij} = \sqrt{\epsilon_{ii} \epsilon_{jj}}`,
+:math:`\sigma_{ij} = \sqrt{\sigma_{ii} \sigma_{jj}}`.  However, if the default
 value of :math:`5.941\,\text{kcal/mol}` was used for :math:`\epsilon_\text{1-5}`,
 the solid walls would be extremely hydrophilic, causing the water
 molecules to form dense layers.  As a comparison, the water-water energy

sphinx/build/doctrees/tutorial4/nanosheared-electrolyte.doctree

@@ -457,8 +457,8 @@ <h3>System generation<a class="headerlink" href="#system-generation" title="Link
 pairwise interactions were only assigned between atoms of identical
 types.  By default, LAMMPS calculates the pair coefficients for the
 interactions between atoms of different types (i and j) by using
-geometric average: <span class="math notranslate nohighlight">\(\epsilon_{ij} = (\epsilon_{ii} + \epsilon_{jj})/2\)</span>,
-<span class="math notranslate nohighlight">\(\sigma_{ij} = (\sigma_{ii} + \sigma_{jj})/2\)</span>.  However, if the default
+geometric average: <span class="math notranslate nohighlight">\(\epsilon_{ij} = \sqrt{\epsilon_{ii} \epsilon_{jj}}\)</span>,
+<span class="math notranslate nohighlight">\(\sigma_{ij} = \sqrt{\sigma_{ii} \sigma_{jj}}\)</span>.  However, if the default
 value of <span class="math notranslate nohighlight">\(5.941\,\text{kcal/mol}\)</span> was used for <span class="math notranslate nohighlight">\(\epsilon_\text{1-5}\)</span>,
 the solid walls would be extremely hydrophilic, causing the water
 molecules to form dense layers.  As a comparison, the water-water energy

sphinx/build/doctrees/tutorial4/tutorial.doctree

@@ -419,8 +419,8 @@ <h2>System generation<a class="headerlink" href="#system-generation" title="Link
 pairwise interactions were only assigned between atoms of identical
 types.  By default, LAMMPS calculates the pair coefficients for the
 interactions between atoms of different types (i and j) by using
-geometric average: <span class="math notranslate nohighlight">\(\epsilon_{ij} = (\epsilon_{ii} + \epsilon_{jj})/2\)</span>,
-<span class="math notranslate nohighlight">\(\sigma_{ij} = (\sigma_{ii} + \sigma_{jj})/2\)</span>.  However, if the default
+geometric average: <span class="math notranslate nohighlight">\(\epsilon_{ij} = \sqrt{\epsilon_{ii} \epsilon_{jj}}\)</span>,
+<span class="math notranslate nohighlight">\(\sigma_{ij} = \sqrt{\sigma_{ii} \sigma_{jj}}\)</span>.  However, if the default
 value of <span class="math notranslate nohighlight">\(5.941\,\text{kcal/mol}\)</span> was used for <span class="math notranslate nohighlight">\(\epsilon_\text{1-5}\)</span>,
 the solid walls would be extremely hydrophilic, causing the water
 molecules to form dense layers.  As a comparison, the water-water energy

sphinx/build/html/_sources/tutorial4/tutorial.rst.txt

@@ -188,8 +188,8 @@ tutorials, with the important exception of ``pair_coeff O WALL``,
 pairwise interactions were only assigned between atoms of identical
 types.  By default, LAMMPS calculates the pair coefficients for the
 interactions between atoms of different types (i and j) by using
-geometric average: :math:`\epsilon_{ij} = (\epsilon_{ii} + \epsilon_{jj})/2`,
-:math:`\sigma_{ij} = (\sigma_{ii} + \sigma_{jj})/2`.  However, if the default
+geometric average: :math:`\epsilon_{ij} = \sqrt{\epsilon_{ii} \epsilon_{jj}}`,
+:math:`\sigma_{ij} = \sqrt{\sigma_{ii} \sigma_{jj}}`.  However, if the default
 value of :math:`5.941\,\text{kcal/mol}` was used for :math:`\epsilon_\text{1-5}`,
 the solid walls would be extremely hydrophilic, causing the water
 molecules to form dense layers.  As a comparison, the water-water energy