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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2057 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2008-08-18 16:29:36 +00:00
parent 7732b4f0c2
commit 82ab56af9a
2 changed files with 16 additions and 12 deletions
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14
doc/lattice.html
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@ -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

14
doc/lattice.txt
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@ -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