diff --git a/doc/compute_property_atom.html b/doc/compute_property_atom.html index d22e65c54a..ca449ada49 100644 --- a/doc/compute_property_atom.html +++ b/doc/compute_property_atom.html @@ -61,7 +61,7 @@ tqx,tqy,tqz = torque on finite-size particles end12x, end12y, end12z = end points of line segment corner123x, corner123y, corner123z = corner points of triangle - nbonds = number of bonds + nbonds = number of bonds assigned to an atom
      PERI package per-atom properties:
       vfrac = ???
@@ -131,8 +131,13 @@ line segment particles and define the end points of each line segment.
 corner2z, corner3x, corner3y, corner3z, are defined for
 triangular particles and define the corner points of each triangle.
 

-

nbonds is available for all molecular atom styles and refers to -the number of explicit bonds attached to an atom. +

Nbonds is available for all molecular atom styles and refers to the +number of explicit bonds assigned to an atom. Note that if the +newton bond command is set to on, which is the +default, then every bond in the system is assigned to only one of the +two atoms in the bond. Thus a bond between atoms I,J may be tallied +for either atom I or atom J. If newton bond off is set, +it will be tallied with both atom I and atom J.

The i_name and d_name attributes refer to custom integer and floating-point properties that have been added to each atom via the diff --git a/doc/compute_property_atom.txt b/doc/compute_property_atom.txt index 82f6e651b9..9b7483fd8d 100644 --- a/doc/compute_property_atom.txt +++ b/doc/compute_property_atom.txt @@ -54,7 +54,7 @@ input = one or more atom attributes :l tqx,tqy,tqz = torque on finite-size particles end12x, end12y, end12z = end points of line segment corner123x, corner123y, corner123z = corner points of triangle - nbonds = number of bonds :pre + nbonds = number of bonds assigned to an atom :pre PERI package per-atom properties: vfrac = ??? @@ -123,8 +123,13 @@ line segment particles and define the end points of each line segment. {corner2z}, {corner3x}, {corner3y}, {corner3z}, are defined for triangular particles and define the corner points of each triangle. -{nbonds} is available for all molecular atom styles and refers to -the number of explicit bonds attached to an atom. +{Nbonds} is available for all molecular atom styles and refers to the +number of explicit bonds assigned to an atom. Note that if the +"newton bond"_newton.html command is set to {on}, which is the +default, then every bond in the system is assigned to only one of the +two atoms in the bond. Thus a bond between atoms I,J may be tallied +for either atom I or atom J. If "newton bond off"_newton.html is set, +it will be tallied with both atom I and atom J. The {i_name} and {d_name} attributes refer to custom integer and floating-point properties that have been added to each atom via the