git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1178 f3b2605a-c512-4ea7-a41b-209d697bcdaa

doc/compute.html

@@ -48,7 +48,9 @@ custom</A> command or the <A HREF = "fix_ave_spatial.html">fix
 ave/spatial</A> command.  Or the per-atom values can
 be time-averaged via the <A HREF = "fix_ave_atom.html">fix ave/atom</A> command and
 then output via the <A HREF = "dump.html">dump custom</A> or <A HREF = "fix_ave_spatial.html">fix
-ave/spatial</A> commands.
+ave/spatial</A> commands.  Note that the value of
+per-atom computes will be 0.0 for atoms not in the specified compute
+group.
 </P>
 <P>See this <A HREF = "Section_howto.html#4_15">howto section</A> for a summary of
 various LAMMPS output options.

doc/compute.txt

@@ -45,7 +45,9 @@ custom"_dump.html command or the "fix
 ave/spatial"_fix_ave_spatial.html command.  Or the per-atom values can
 be time-averaged via the "fix ave/atom"_fix_ave_atom.html command and
 then output via the "dump custom"_dump.html or "fix
-ave/spatial"_fix_ave_spatial.html commands.
+ave/spatial"_fix_ave_spatial.html commands.  Note that the value of
+per-atom computes will be 0.0 for atoms not in the specified compute
+group.
 
 See this "howto section"_Section_howto.html#4_15 for a summary of
 various LAMMPS output options.

doc/compute_attribute_atom.html

@@ -35,6 +35,9 @@ can also be output directly by the <A HREF = "dump.html">dump custom</A> command
 but it has keywords that output these quantities without the need to
 define an additional compute.
 </P>
+<P>The value of the attribute will be 0.0 for atoms not in the specified
+compute group.
+</P>
 <P>The styles <I>x</I>, <I>y</I>, <I>z</I>, <I>xu</I>, <I>yu</I>, <I>zu</I>, <I>vx</I>, <I>vy</I>, <I>vz</I>, <I>fx</I>,
 <I>fy</I>, and <I>fz</I> each store a single scalar value per atom.
 </P>
@@ -58,7 +61,7 @@ atom.
 </P>
 <P>Note that the various commands that reference this compute use a
 different syntax for accessing scalar versus vector values, e.g. c_ID
-versus c_ID<B>2</B>.
+versus c_ID[2].
 </P>
 <P><B>Restrictions:</B> none
 </P>

doc/compute_attribute_atom.txt

@@ -32,6 +32,9 @@ can also be output directly by the "dump custom"_dump.html command,
 but it has keywords that output these quantities without the need to
 define an additional compute.
 
+The value of the attribute will be 0.0 for atoms not in the specified
+compute group.
+
 The styles {x}, {y}, {z}, {xu}, {yu}, {zu}, {vx}, {vy}, {vz}, {fx},
 {fy}, and {fz} each store a single scalar value per atom.
 
@@ -55,7 +58,7 @@ atom.
 
 Note that the various commands that reference this compute use a
 different syntax for accessing scalar versus vector values, e.g. c_ID
-versus c_ID[2].
+versus c_ID\[2\].
 
 [Restrictions:] none
 

doc/compute_centro_atom.html

@@ -31,6 +31,9 @@ atom and can be used to characterize whether the atom is part of a
 perfect lattice, a local defect (e.g. a dislocation or stacking
 fault), or at a surface.
 </P>
+<P>The value of the centro-symmetry parameter will be 0.0 for atoms not
+in the specified compute group.
+</P>
 <P>This parameter is computed using the following formula from
 <A HREF = "#Kelchner">(Kelchner)</A>
 </P>

doc/compute_centro_atom.txt

@@ -28,6 +28,9 @@ atom and can be used to characterize whether the atom is part of a
 perfect lattice, a local defect (e.g. a dislocation or stacking
 fault), or at a surface.
 
+The value of the centro-symmetry parameter will be 0.0 for atoms not
+in the specified compute group.
+
 This parameter is computed using the following formula from
 "(Kelchner)"_#Kelchner
 

doc/compute_coord_atom.html

@@ -28,6 +28,9 @@
 <P>Define a computation that calculates the coordination number for each
 atom in a group.
 </P>
+<P>The value of the coordination number will be 0.0 for atoms not in the
+specified compute group.
+</P>
 <P>The coordination number is defined as the number of neighbor atoms
 within the specified cutoff distance from the central atom.  Atoms not
 in the group are included in the coordination number of atoms in the

doc/compute_coord_atom.txt

@@ -25,6 +25,9 @@ compute 1 all coord/atom 2.0 :pre
 Define a computation that calculates the coordination number for each
 atom in a group.
 
+The value of the coordination number will be 0.0 for atoms not in the
+specified compute group.
+
 The coordination number is defined as the number of neighbor atoms
 within the specified cutoff distance from the central atom.  Atoms not
 in the group are included in the coordination number of atoms in the

doc/compute_ke_atom.html

@@ -27,6 +27,9 @@
 <P>Define a computation that calculates the per-atom kinetic energy for
 each atom in a group.
 </P>
+<P>The value of the kinetic energy will be 0.0 for atoms not in the
+specified compute group.
+</P>
 <P>The kinetic energy is simply 1/2 m v^2, where m is the mass and v is
 the velocity of each atom.
 </P>

doc/compute_ke_atom.txt

@@ -24,6 +24,9 @@ compute 1 all ke/atom :pre
 Define a computation that calculates the per-atom kinetic energy for
 each atom in a group.
 
+The value of the kinetic energy will be 0.0 for atoms not in the
+specified compute group.
+
 The kinetic energy is simply 1/2 m v^2, where m is the mass and v is
 the velocity of each atom.
 

doc/compute_sum_atom.html

@@ -33,6 +33,9 @@ computes, e.g. the <A HREF = "dump.html">dump custom</A> command or <A HREF = "f
 ave/spatial</A> command or <A HREF = "fix_ave_atom.html">fix
 ave/atom</A> command.
 </P>
+<P>The value of the sum will be 0.0 for atoms not in the specified
+compute group.
+</P>
 <P>The result of this compute depends on the results generated by the
 other computes that it invokes.  E.g. if the other computes each
 generate a scalar value per atom, so will this compute.  If the other

doc/compute_sum_atom.txt

@@ -30,6 +30,9 @@ computes, e.g. the "dump custom"_dump.html command or "fix
 ave/spatial"_fix_ave_spatial.html command or "fix
 ave/atom"_fix_ave_atom.html command.
 
+The value of the sum will be 0.0 for atoms not in the specified
+compute group.
+
 The result of this compute depends on the results generated by the
 other computes that it invokes.  E.g. if the other computes each
 generate a scalar value per atom, so will this compute.  If the other

doc/compute_variable_atom.html

@@ -31,6 +31,9 @@ per-atom computes, e.g. the <A HREF = "dump.html">dump custom</A> command or <A
 ave/spatial</A> command or <A HREF = "fix_ave_atom.html">fix
 ave/atom</A> command.
 </P>
+<P>The value of the variable evaluation will be 0.0 for atoms not in the
+specified compute group.
+</P>
 <P>The formula is defined by the <A HREF = "variable.html">variable atom</A> command.
 A variable of style <I>atom</I> can access properties of the system, such
 as volume or temperature, and also reference individual atom

doc/compute_variable_atom.txt

@@ -28,6 +28,9 @@ per-atom computes, e.g. the "dump custom"_dump.html command or "fix
 ave/spatial"_fix_ave_spatial.html command or "fix
 ave/atom"_fix_ave_atom.html command.
 
+The value of the variable evaluation will be 0.0 for atoms not in the
+specified compute group.
+
 The formula is defined by the "variable atom"_variable.html command.
 A variable of style {atom} can access properties of the system, such
 as volume or temperature, and also reference individual atom