git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1962 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2008-07-24 14:43:12 +00:00
parent ed63924ba5
commit 6aabbb6981
5 changed files with 55 additions and 22 deletions

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@ -108,6 +108,7 @@ available in LAMMPS:
"centro/atom"_compute_centro_atom.html - centro-symmetry parameter for each atom
"coord/atom"_compute_coord_atom.html - coordination number for each atom
"damage/atom"_compute_damage_atom.html - Peridynamic damage for each atom
"displace/atom"_compute_displace_atom.html - displacement of each atom
"erotate/asphere"_compute_erotate_asphere.html - rotational energy of aspherical particles
"erotate/sphere"_compute_erotate_sphere.html - rotational energy of spherical particles

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@ -42,7 +42,7 @@ output options.
</P>
<P><B>Restrictions:</B>
</P>
<P>The <I>damage/peri</I> style is part of the "peri" package. It is only
<P>The <I>damage/atom</I> style is part of the "peri" package. It is only
enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#2_3">Making
LAMMPS</A> section for more info.
</P>

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@ -39,7 +39,7 @@ output options.
[Restrictions:]
The {damage/peri} style is part of the "peri" package. It is only
The {damage/atom} style is part of the "peri" package. It is only
enabled if LAMMPS was built with that package. See the "Making
LAMMPS"_Section_start.html#2_3 section for more info.

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@ -15,7 +15,7 @@
</P>
<PRE>units style
</PRE>
<UL><LI>style = <I>lj</I> or <I>real</I> or <I>metal</I> or <I>si</I>
<UL><LI>style = <I>lj</I> or <I>real</I> or <I>metal</I> or <I>si</I> or <I>cgs</I>
</UL>
<P><B>Examples:</B>
</P>
@ -30,9 +30,9 @@ and data file, as well as quantities output to the screen, log file,
and dump files. Typically, this command is used at the very beginning
of an input script.
</P>
<P>For <I>real</I> and <I>metal</I> units, LAMMPS uses physical constants from
www.physics.nist.gov. For the definition of Kcal in real units, LAMMPS
uses the thermochemical calorie = 4.184 J.
<P>For all units except <I>lj</I>, LAMMPS uses physical constants from
www.physics.nist.gov. For the definition of Kcal in real units,
LAMMPS uses the thermochemical calorie = 4.184 J.
</P>
<P>For style <I>lj</I>, all quantities are unitless. Without loss of
generality, LAMMPS sets the fundamental quantities mass, sigma,
@ -101,12 +101,28 @@ results from a unitless LJ simulation into physical quantities.
<LI>dipole = Coulombs*meters
<LI>electric field = volts/meter
</UL>
<P>This command also sets the timestep size and neighbor skin distance to
default values for each style. For style <I>lj</I> these are dt = 0.005
tau and skin = 0.3 sigma. For style <I>real</I> these are dt = 1.0 fmsec
and skin = 2.0 Angstroms. For style <I>metal</I> these are dt = 0.001 psec
and skin = 2.0 Angstroms. For style <I>si</I> these are dt = 1.0e-8 sec and
skin = 0.001 meters.
<P>For style <I>cgs</I>, these are the units:
</P>
<UL><LI>mass = grams
<LI>distance = centimeters
<LI>time = seconds
<LI>energy = ergs
<LI>velocity = cm/second
<LI>force = dynes
<LI>temperature = degrees K
<LI>pressure = dyne/cm^2 or barye = 1.0e-6 bars
<LI>viscosity = Poise
<LI>charge = statcoulombs or esu
<LI>dipole = debye
<LI>electric field = statvolt/cm or dyne/esu
</UL>
<P>The units command also sets the timestep size and neighbor skin
distance to default values for each style. For style <I>lj</I> these are
dt = 0.005 tau and skin = 0.3 sigma. For style <I>real</I> these are dt =
1.0 fmsec and skin = 2.0 Angstroms. For style <I>metal</I> these are dt =
0.001 psec and skin = 2.0 Angstroms. For style <I>si</I> these are dt =
1.0e-8 sec and skin = 0.001 meters. For style <I>cgs</I> these are dt =
1.0e-8 sec and skin = 0.1 cm.
</P>
<P><B>Restrictions:</B>
</P>

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@ -12,7 +12,7 @@ units command :h3
units style :pre
style = {lj} or {real} or {metal} or {si} :ul
style = {lj} or {real} or {metal} or {si} or {cgs} :ul
[Examples:]
@ -27,9 +27,9 @@ and data file, as well as quantities output to the screen, log file,
and dump files. Typically, this command is used at the very beginning
of an input script.
For {real} and {metal} units, LAMMPS uses physical constants from
www.physics.nist.gov. For the definition of Kcal in real units, LAMMPS
uses the thermochemical calorie = 4.184 J.
For all units except {lj}, LAMMPS uses physical constants from
www.physics.nist.gov. For the definition of Kcal in real units,
LAMMPS uses the thermochemical calorie = 4.184 J.
For style {lj}, all quantities are unitless. Without loss of
generality, LAMMPS sets the fundamental quantities mass, sigma,
@ -98,12 +98,28 @@ charge = Coulombs
dipole = Coulombs*meters
electric field = volts/meter :ul
This command also sets the timestep size and neighbor skin distance to
default values for each style. For style {lj} these are dt = 0.005
tau and skin = 0.3 sigma. For style {real} these are dt = 1.0 fmsec
and skin = 2.0 Angstroms. For style {metal} these are dt = 0.001 psec
and skin = 2.0 Angstroms. For style {si} these are dt = 1.0e-8 sec and
skin = 0.001 meters.
For style {cgs}, these are the units:
mass = grams
distance = centimeters
time = seconds
energy = ergs
velocity = cm/second
force = dynes
temperature = degrees K
pressure = dyne/cm^2 or barye = 1.0e-6 bars
viscosity = Poise
charge = statcoulombs or esu
dipole = debye
electric field = statvolt/cm or dyne/esu :ul
The units command also sets the timestep size and neighbor skin
distance to default values for each style. For style {lj} these are
dt = 0.005 tau and skin = 0.3 sigma. For style {real} these are dt =
1.0 fmsec and skin = 2.0 Angstroms. For style {metal} these are dt =
0.001 psec and skin = 2.0 Angstroms. For style {si} these are dt =
1.0e-8 sec and skin = 0.001 meters. For style {cgs} these are dt =
1.0e-8 sec and skin = 0.1 cm.
[Restrictions:]