Unverified Commit fa164fff authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
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explain new semantics for accessing pN for hybrid styles

parent 1e0cd0b2
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+12 −5
Original line number Diff line number Diff line
@@ -62,10 +62,17 @@ pair styles do not define any additional quantities, so N = 0. An
example of ones that do are the "granular pair styles"_pair_gran.html
which calculate the tangential force between two particles and return
its components and magnitude acting on atom I for N = 1,2,3,4.  See
individual pair styles for details. When using hybrid pair styles,
these quantities are the combined lists of the individual quantities
for the pair styles active for a given pair of atom types padded with
zeros.
individual pair styles for details. When using pair style {hybrid},
the output will be that of the Nth quantity from the active sub-style
active or 0.0. The maximum allowed N is the maximum of any sub-style.
When using pair style {hybrid/overlay} all additional properties of
all pair styles are available for output, but the values of inactive
sub-styles for a given pair of atom types will be 0.0. Thus if there
are, for example, 3 sub-styles and 2 of them have additional output
(3 and 4 items, respectively), the maximum N would be 7 and {p1}, {p2},
and {p3} would refer to the first 3 additional properties and the
remaining allowed parameters {p4} to {p7} would address properties {p1}
to {p4} of the second sub-style with additional properties.

The value {dist} will be in distance "units"_units.html.  The value
{eng} will be in energy "units"_units.html.  The values {force}, {fx},
@@ -129,7 +136,7 @@ options.
The output for {dist} will be in distance "units"_units.html.  The
output for {eng} will be in energy "units"_units.html.  The output for
{force}, {fx}, {fy}, and {fz} will be in force "units"_units.html.
The outpur for {pN} will be in whatever units the pair style defines.
The output for {pN} will be in whatever units the pair style defines.

[Restrictions:] none