git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9777 f3b2605a-c512-4ea7-a41b-209d697bcdaa

doc/fix_wall.html

@@ -78,8 +78,8 @@ wall-particle interactions depends on the style.
 </P>
 <CENTER><IMG SRC = "Eqs/pair_lj.jpg">
 </CENTER>
-<P>For style <I>wall/colloid</I>, the energy E is given by an integrated form of
+<P>For style <I>wall/colloid</I>, the energy E is given by an integrated form
-the <A HREF = "pair_colloid.html">pair_style colloid</A> potential:
+of the <A HREF = "pair_colloid.html">pair_style colloid</A> potential:
 </P>
 <CENTER><IMG SRC = "Eqs/fix_wall_colloid.jpg">
 </CENTER>
@@ -126,18 +126,26 @@ computes particle-particle interactions.
 half-lattice of Lennard-Jones 12/6 particles.  The <I>wall/lj126</I>
 interaction is effectively a harder, more repulsive wall interaction.
 </P>
-<P>For the <I>wall/colloid</I> style, <I>epsilon</I> is effectively a Hamaker
+<P>For the <I>wall/colloid</I> style, <I>R</I> is the radius of the colloid
-constant with energy units for the colloid-wall interaction, <I>R</I> is
+particle, <I>D</I> is the distance from the surface of the colloid particle
-the radius of the colloid particle, <I>D</I> is the distance from the
+to the wall (r-R), and <I>sigma</I> is the size of a constituent LJ
-surface of the colloid particle to the wall (r-R), and <I>sigma</I> is the
+particle inside the colloid particle and wall.  Note that the cutoff
-size of a constituent LJ particle inside the colloid particle.  Note
+distance Rc in this case is the distance from the colloid particle
-that the cutoff distance Rc in this case is the distance from the
+center to the wall.  The prefactor <I>epsilon</I> can be thought of as an
-colloid particle center to the wall.
+effective Hamaker constant with energy units for the strength of the
+colloid-wall interaction.  More specifically, the <I>epsilon</I> pre-factor
+= 4 * pi^2 * rho_wall * rho_colloid * epsilon * sigma^6, where epsilon
+and sigma are the LJ parameters for the constituent LJ
+particles. Rho_wall and rho_colloid are the number density of the
+constituent particles, in the wall and colloid respectively, in units
+of 1/volume.
 </P>
 <P>The <I>wall/colloid</I> interaction is derived by integrating over
 constituent LJ particles of size <I>sigma</I> within the colloid particle
 and a 3d half-lattice of Lennard-Jones 12/6 particles of size <I>sigma</I>
-in the wall.
+in the wall.  As mentioned in the preceeding paragraph, the density of
+particles in the wall and colloid can be different, as specified by
+the <I>epsilon</I> pre-factor.
 </P>
 <P>For the <I>wall/harmonic</I> style, <I>epsilon</I> is effectively the spring
 constant K, and has units (energy/distance^2).  The input parameter

doc/fix_wall.txt

@@ -64,8 +64,8 @@ For style {wall/lj126}, the energy E is given by the 12/6 potential:
 
 :c,image(Eqs/pair_lj.jpg)
 
-For style {wall/colloid}, the energy E is given by an integrated form of
+For style {wall/colloid}, the energy E is given by an integrated form
-the "pair_style colloid"_pair_colloid.html potential:
+of the "pair_style colloid"_pair_colloid.html potential:
 
 :c,image(Eqs/fix_wall_colloid.jpg)
 
@@ -112,18 +112,26 @@ The {wall/lj93} interaction is derived by integrating over a 3d
 half-lattice of Lennard-Jones 12/6 particles.  The {wall/lj126}
 interaction is effectively a harder, more repulsive wall interaction.
 
-For the {wall/colloid} style, {epsilon} is effectively a Hamaker
+For the {wall/colloid} style, {R} is the radius of the colloid
-constant with energy units for the colloid-wall interaction, {R} is
+particle, {D} is the distance from the surface of the colloid particle
-the radius of the colloid particle, {D} is the distance from the
+to the wall (r-R), and {sigma} is the size of a constituent LJ
-surface of the colloid particle to the wall (r-R), and {sigma} is the
+particle inside the colloid particle and wall.  Note that the cutoff
-size of a constituent LJ particle inside the colloid particle.  Note
+distance Rc in this case is the distance from the colloid particle
-that the cutoff distance Rc in this case is the distance from the
+center to the wall.  The prefactor {epsilon} can be thought of as an
-colloid particle center to the wall.
+effective Hamaker constant with energy units for the strength of the
+colloid-wall interaction.  More specifically, the {epsilon} pre-factor
+= 4 * pi^2 * rho_wall * rho_colloid * epsilon * sigma^6, where epsilon
+and sigma are the LJ parameters for the constituent LJ
+particles. Rho_wall and rho_colloid are the number density of the
+constituent particles, in the wall and colloid respectively, in units
+of 1/volume.
 
 The {wall/colloid} interaction is derived by integrating over
 constituent LJ particles of size {sigma} within the colloid particle
 and a 3d half-lattice of Lennard-Jones 12/6 particles of size {sigma}
-in the wall.
+in the wall.  As mentioned in the preceeding paragraph, the density of
+particles in the wall and colloid can be different, as specified by
+the {epsilon} pre-factor.
 
 For the {wall/harmonic} style, {epsilon} is effectively the spring
 constant K, and has units (energy/distance^2).  The input parameter

doc/pair_eff.html

@@ -37,7 +37,7 @@ pair_style eff/cut 40.0 ecp 1 Si 3 C
 pair_coeff * *
 pair_coeff 2 2 20.0
 pair_coeff 1 s 0.320852 2.283269 0.814857 
-pair_coeff 3 22.721015 0.728733 1.103199 17.695345 6.693621 
+pair_coeff 3 p 22.721015 0.728733 1.103199 17.695345 6.693621 
 </PRE>
 <P><B>Description:</B>
 </P>

doc/units.html

@@ -138,7 +138,7 @@ by the number of atoms, i.e. energy/atom.  This can be changed via the
 <LI>time = femtoseconds
 <LI>energy = Hartrees
 <LI>velocity = Bohr/atomic time units [1.03275e-15 seconds]
-<LI>force = Hartrees*Bohr
+<LI>force = Hartrees/Bohr
 <LI>temperature = degrees K
 <LI>pressure = Pascals
 <LI>charge = multiple of electron charge (+1.0 is a proton)