Added alpha, beta, gamma defs.

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4077 f3b2605a-c512-4ea7-a41b-209d697bcdaa

doc/Eqs/box.tex

@@ -0,0 +1,20 @@
+\documentclass[24pt]{article}
+
+\usepackage{amsmath}
+
+\pagestyle{empty}
+\Huge
+
+\begin{document}
+
+\begin{eqnarray*}
+a &=& {\rm lx} \\
+b^2 &=&  {\rm ly}^2 +  {\rm xy}^2 \\
+c^2 &=&  {\rm lz}^2 +  {\rm xz}^2 +  {\rm yz}^2 \\
+\cos{\alpha} &=& \frac{ {\rm xy}*{ \rm xz} + {\rm ly}*{\rm yz}}{ b*c} \\
+\cos{\beta} &=& \frac{\rm xz}{c} \\
+\cos{\gamma} &=& \frac{ \rm xy}{b} \\
+\end{eqnarray*}
+
+
+\end{document}

doc/read_data.html

@@ -109,6 +109,12 @@ since if the maximum tilt factor is 5 (as in this example), then
 configurations with tilt = ..., -15, -5, 5, 15, 25, ... are all
 equivalent.
 </P>
+<P>Many crystal structures are defined using three lattice constants <I>a</I>, <I>b</I>,
+and <I>c</I>, and three angles <I>alpha</I>, <I>beta</I> and <I>gamma</I>. The relationships between
+these quantities and the LAMMPS box dimensions are as follows:
+</P>
+<CENTER><IMG SRC = "Eqs/box.jpg"> 
+</CENTER>
 <P>When a triclinic system is used, the simulation domain must be
 periodic in any dimensions with a non-zero tilt factor, as defined by
 the <A HREF = "boundary.html">boundary</A> command.  I.e. if the xy tilt factor is
@@ -265,7 +271,7 @@ appended to it, which indicate which image of a periodic simulation
 box the atom is in.  These may be important to include for some kinds
 of analysis.
 </P>
-<DIV ALIGN=center><TABLE  BORDER=1 >
+<DIV ALIGN=center><TABLE  WIDTH="0%"  BORDER=1 >
 <TR><TD >angle</TD><TD > atom-ID molecule-ID atom-type x y z</TD></TR>
 <TR><TD >atomic</TD><TD > atom-ID atom-type x y z</TD></TR>
 <TR><TD >bond</TD><TD > atom-ID molecule-ID atom-type x y z</TD></TR>
@@ -681,7 +687,7 @@ style dipole or ellipsoid.
 <UL><LI>one line per atom
 <LI>line syntax: depends on atom style 
 </UL>
-<DIV ALIGN=center><TABLE  BORDER=1 >
+<DIV ALIGN=center><TABLE  WIDTH="0%"  BORDER=1 >
 <TR><TD >all styles except those listed</TD><TD > atom-ID vx vy vz</TD></TR>
 <TR><TD >dipole</TD><TD > atom-ID vx vy vz wx wy wz</TD></TR>
 <TR><TD >ellipsoid</TD><TD > atom-ID vx vy vz lx ly lz</TD></TR>

doc/read_data.txt

@@ -106,6 +106,12 @@ since if the maximum tilt factor is 5 (as in this example), then
 configurations with tilt = ..., -15, -5, 5, 15, 25, ... are all
 equivalent.
 
+Many crystal structures are defined using three lattice constants {a}, {b},
+and {c}, and three angles {alpha}, {beta} and {gamma}. The relationships between
+these quantities and the LAMMPS box dimensions are as follows:
+
+ :c,image(Eqs/box.jpg) 
+
 When a triclinic system is used, the simulation domain must be
 periodic in any dimensions with a non-zero tilt factor, as defined by
 the "boundary"_boundary.html command.  I.e. if the xy tilt factor is