From 82ab56af9ac5bef184f8121653395c92e34e52fb Mon Sep 17 00:00:00 2001 From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa> Date: Mon, 18 Aug 2008 16:29:36 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2057 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/lattice.html | 14 ++++++++------ doc/lattice.txt | 14 ++++++++------ 2 files changed, 16 insertions(+), 12 deletions(-) diff --git a/doc/lattice.html b/doc/lattice.html index 30f2391940..fc5b26e847 100644 --- a/doc/lattice.html +++ b/doc/lattice.html @@ -20,10 +20,10 @@ <LI>scale = scale factor between lattice and simulation box <PRE> for style <I>none</I>: - scale is not specified (nor any optional args) + scale is not specified (nor any optional arguments) for all other styles: scale = reduced density rho* (for LJ units) - scale = lattice constant in Angstroms (for real or metal units) + scale = lattice constant in distance units (for non-LJ units) </PRE> <LI>zero or more keyword/value pairs may be appended @@ -130,10 +130,12 @@ lattice of the desired size and distance units in the simulation box. The meaning of the <I>scale</I> argument depends on the <A HREF = "unit.html">units</A> being used in your simulation. </P> -<P>For unit style <I>real</I> or <I>metal</I>, the scale argument is in Angstroms. -For example, if the unit cell is a unit cube with edge length 1.0, -setting scale = 3.52 would create a cubic lattice with a spacing of -3.52 Angstroms. +<P>For all unit styles except <I>lj</I>, the scale argument is specified in +the distance units defined by the unit style. For example, in <I>real</I> +or <I>metal</I> units, if the unit cell is a unit cube with edge length +1.0, specifying scale = 3.52 would create a cubic lattice with a +spacing of 3.52 Angstroms. In <I>cgs</I> units, the spacing would be 3.52 +cm. </P> <P>For unit style <I>lj</I>, the scale argument is the Lennard-Jones reduced density, typically written as rho*. LAMMPS converts this value into diff --git a/doc/lattice.txt b/doc/lattice.txt index 030207a6db..af68a8d5d3 100644 --- a/doc/lattice.txt +++ b/doc/lattice.txt @@ -16,10 +16,10 @@ style = {none} or {sc} or {bcc} or {fcc} or {hcp} or {diamond} or \ {sq} or {sq2} or {hex} or {custom} :ulb,l scale = scale factor between lattice and simulation box :l for style {none}: - scale is not specified (nor any optional args) + scale is not specified (nor any optional arguments) for all other styles: scale = reduced density rho* (for LJ units) - scale = lattice constant in Angstroms (for real or metal units) :pre + scale = lattice constant in distance units (for non-LJ units) :pre zero or more keyword/value pairs may be appended :l keyword = {origin} or {orient} or {spacing} or {a1} or {a2} or {a3} or {basis} :l {origin} values = x y z @@ -122,10 +122,12 @@ lattice of the desired size and distance units in the simulation box. The meaning of the {scale} argument depends on the "units"_unit.html being used in your simulation. -For unit style {real} or {metal}, the scale argument is in Angstroms. -For example, if the unit cell is a unit cube with edge length 1.0, -setting scale = 3.52 would create a cubic lattice with a spacing of -3.52 Angstroms. +For all unit styles except {lj}, the scale argument is specified in +the distance units defined by the unit style. For example, in {real} +or {metal} units, if the unit cell is a unit cube with edge length +1.0, specifying scale = 3.52 would create a cubic lattice with a +spacing of 3.52 Angstroms. In {cgs} units, the spacing would be 3.52 +cm. For unit style {lj}, the scale argument is the Lennard-Jones reduced density, typically written as rho*. LAMMPS converts this value into