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Added equations for inverse box transformation

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6214 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps
2011-05-23 19:09:02 +00:00
parent 1c79295aa1
commit 2ddc39d3d8
3 changed files with 20 additions and 2 deletions
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doc/Eqs/box_inverse.tex Normal file
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@ -0,0 +1,14 @@
\documentclass[12pt]{article}
\begin{document}
\begin{eqnarray*}
{\rm lx} &=& a \\
{\rm xy} &=& b \cos{\gamma} \\
{\rm xz} &=& c \cos{\beta}\\
{\rm ly}^2 &=& b^2 - {\rm xy}^2 \\
{\rm yz} &=& \frac{b*c \cos{\alpha} - {\rm xy}*{\rm xz}}{\rm ly} \\
{\rm lz}^2 &=& c^2 - {\rm xz}^2 - {\rm yz}^2 \\
\end{eqnarray*}
\end{document}

8
doc/Section_howto.html
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@ -825,6 +825,10 @@ factors (xy,xz,yz) is as follows:
</P> </P>
<CENTER><IMG SRC = "Eqs/box.jpg"> <CENTER><IMG SRC = "Eqs/box.jpg">
</CENTER> </CENTER>
<P>The inverse relationship can be written as follows:
</P>
<CENTER><IMG SRC = "Eqs/box_inverse.jpg">
</CENTER>
<P>As discussed on the <A HREF = "dump.html">dump</A> command doc page, when the BOX <P>As discussed on the <A HREF = "dump.html">dump</A> command doc page, when the BOX
BOUNDS for a snapshot is written to a dump file for a triclinic box, BOUNDS for a snapshot is written to a dump file for a triclinic box,
an orthogonal bounding box which encloses the triclinic simulation box an orthogonal bounding box which encloses the triclinic simulation box
@ -1158,7 +1162,7 @@ discussed below, it can be referenced via the following bracket
notation, where ID in this case is the ID of a compute. The leading notation, where ID in this case is the ID of a compute. The leading
"c_" would be replaced by "f_" for a fix, or "v_" for a variable: "c_" would be replaced by "f_" for a fix, or "v_" for a variable:
</P> </P>
<DIV ALIGN=center><TABLE BORDER=1 > <DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
<TR><TD >c_ID </TD><TD > entire scalar, vector, or array</TD></TR> <TR><TD >c_ID </TD><TD > entire scalar, vector, or array</TD></TR>
<TR><TD >c_ID[I] </TD><TD > one element of vector, one column of array</TD></TR> <TR><TD >c_ID[I] </TD><TD > one element of vector, one column of array</TD></TR>
<TR><TD >c_ID[I][J] </TD><TD > one element of array <TR><TD >c_ID[I][J] </TD><TD > one element of array
@ -1352,7 +1356,7 @@ data and scalar/vector/array data.
input, that could be an element of a vector or array. Likewise a input, that could be an element of a vector or array. Likewise a
vector input could be a column of an array. vector input could be a column of an array.
</P> </P>
<DIV ALIGN=center><TABLE BORDER=1 > <DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
<TR><TD >Command</TD><TD > Input</TD><TD > Output</TD><TD ></TD></TR> <TR><TD >Command</TD><TD > Input</TD><TD > Output</TD><TD ></TD></TR>
<TR><TD ><A HREF = "thermo_style.html">thermo_style custom</A></TD><TD > global scalars</TD><TD > screen, log file</TD><TD ></TD></TR> <TR><TD ><A HREF = "thermo_style.html">thermo_style custom</A></TD><TD > global scalars</TD><TD > screen, log file</TD><TD ></TD></TR>
<TR><TD ><A HREF = "dump.html">dump custom</A></TD><TD > per-atom vectors</TD><TD > dump file</TD><TD ></TD></TR> <TR><TD ><A HREF = "dump.html">dump custom</A></TD><TD > per-atom vectors</TD><TD > dump file</TD><TD ></TD></TR>