diff --git a/doc/Eqs/box.jpg b/doc/Eqs/box.jpg new file mode 100644 index 0000000000..b9f65a1c74 Binary files /dev/null and b/doc/Eqs/box.jpg differ diff --git a/doc/Eqs/box.tex b/doc/Eqs/box.tex new file mode 100644 index 0000000000..28ff23cb31 --- /dev/null +++ b/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} diff --git a/doc/read_data.html b/doc/read_data.html index 69c5600518..d6153e7c0e 100644 --- a/doc/read_data.html +++ b/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.
+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: +
+
+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 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.
-| angle | atom-ID molecule-ID atom-type x y z |
| atomic | atom-ID atom-type x y z |
| bond | atom-ID molecule-ID atom-type x y z |
| all styles except those listed | atom-ID vx vy vz |
| dipole | atom-ID vx vy vz wx wy wz |
| ellipsoid | atom-ID vx vy vz lx ly lz |