File tree Expand file tree Collapse file tree 1 file changed +1
-1
lines changed
docs/sphinx/source/tutorial4 Expand file tree Collapse file tree 1 file changed +1
-1
lines changed Original file line number Diff line number Diff line change @@ -190,7 +190,7 @@ types. By default, LAMMPS calculates the pair coefficients for the
190
190
interactions between atoms of different types (i and j) by using
191
191
geometric average: :math: `\epsilon _{ij} = \sqrt {\epsilon _{ii} \epsilon _{jj}}`,
192
192
:math: `\sigma _{ij} = \sqrt {\sigma _{ii} \sigma _{jj}}`. However, if the default
193
- value of :math: `5.941 \,\text {kcal/mol}` was used for :math: `\epsilon _\text {1 -5 }`,
193
+ value of :math: `1.472 \,\text {kcal/mol}` was used for :math: `\epsilon _\text {1 -5 }`,
194
194
the solid walls would be extremely hydrophilic, causing the water
195
195
molecules to form dense layers. As a comparison, the water-water energy
196
196
:math: `\epsilon _\text {1 -1 }` is only :math: `0.185199 \,\text {kcal/mol}`. Therefore,
You can’t perform that action at this time.
0 commit comments