git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1962 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -108,6 +108,7 @@ available in LAMMPS:
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"centro/atom"_compute_centro_atom.html - centro-symmetry parameter for each atom
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"coord/atom"_compute_coord_atom.html - coordination number for each atom
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"damage/atom"_compute_damage_atom.html - Peridynamic damage for each atom
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"displace/atom"_compute_displace_atom.html - displacement of each atom
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"erotate/asphere"_compute_erotate_asphere.html - rotational energy of aspherical particles
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"erotate/sphere"_compute_erotate_sphere.html - rotational energy of spherical particles
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@ -42,7 +42,7 @@ output options.
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</P>
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<P><B>Restrictions:</B>
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</P>
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<P>The <I>damage/peri</I> style is part of the "peri" package. It is only
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<P>The <I>damage/atom</I> style is part of the "peri" package. It is only
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enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#2_3">Making
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LAMMPS</A> section for more info.
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</P>
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@ -39,7 +39,7 @@ output options.
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[Restrictions:]
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The {damage/peri} style is part of the "peri" package. It is only
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The {damage/atom} style is part of the "peri" package. It is only
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enabled if LAMMPS was built with that package. See the "Making
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LAMMPS"_Section_start.html#2_3 section for more info.
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@ -15,7 +15,7 @@
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</P>
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<PRE>units style
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</PRE>
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<UL><LI>style = <I>lj</I> or <I>real</I> or <I>metal</I> or <I>si</I>
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<UL><LI>style = <I>lj</I> or <I>real</I> or <I>metal</I> or <I>si</I> or <I>cgs</I>
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</UL>
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<P><B>Examples:</B>
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</P>
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@ -30,9 +30,9 @@ and data file, as well as quantities output to the screen, log file,
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and dump files. Typically, this command is used at the very beginning
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of an input script.
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</P>
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<P>For <I>real</I> and <I>metal</I> units, LAMMPS uses physical constants from
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www.physics.nist.gov. For the definition of Kcal in real units, LAMMPS
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uses the thermochemical calorie = 4.184 J.
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<P>For all units except <I>lj</I>, LAMMPS uses physical constants from
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www.physics.nist.gov. For the definition of Kcal in real units,
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LAMMPS uses the thermochemical calorie = 4.184 J.
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</P>
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<P>For style <I>lj</I>, all quantities are unitless. Without loss of
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generality, LAMMPS sets the fundamental quantities mass, sigma,
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@ -101,12 +101,28 @@ results from a unitless LJ simulation into physical quantities.
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<LI>dipole = Coulombs*meters
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<LI>electric field = volts/meter
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</UL>
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<P>This command also sets the timestep size and neighbor skin distance to
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default values for each style. For style <I>lj</I> these are dt = 0.005
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tau and skin = 0.3 sigma. For style <I>real</I> these are dt = 1.0 fmsec
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and skin = 2.0 Angstroms. For style <I>metal</I> these are dt = 0.001 psec
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and skin = 2.0 Angstroms. For style <I>si</I> these are dt = 1.0e-8 sec and
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skin = 0.001 meters.
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<P>For style <I>cgs</I>, these are the units:
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</P>
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<UL><LI>mass = grams
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<LI>distance = centimeters
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<LI>time = seconds
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<LI>energy = ergs
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<LI>velocity = cm/second
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<LI>force = dynes
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<LI>temperature = degrees K
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<LI>pressure = dyne/cm^2 or barye = 1.0e-6 bars
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<LI>viscosity = Poise
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<LI>charge = statcoulombs or esu
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<LI>dipole = debye
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<LI>electric field = statvolt/cm or dyne/esu
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</UL>
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<P>The units command also sets the timestep size and neighbor skin
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distance to default values for each style. For style <I>lj</I> these are
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dt = 0.005 tau and skin = 0.3 sigma. For style <I>real</I> these are dt =
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1.0 fmsec and skin = 2.0 Angstroms. For style <I>metal</I> these are dt =
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0.001 psec and skin = 2.0 Angstroms. For style <I>si</I> these are dt =
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1.0e-8 sec and skin = 0.001 meters. For style <I>cgs</I> these are dt =
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1.0e-8 sec and skin = 0.1 cm.
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</P>
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<P><B>Restrictions:</B>
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</P>
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@ -12,7 +12,7 @@ units command :h3
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units style :pre
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style = {lj} or {real} or {metal} or {si} :ul
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style = {lj} or {real} or {metal} or {si} or {cgs} :ul
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[Examples:]
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@ -27,9 +27,9 @@ and data file, as well as quantities output to the screen, log file,
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and dump files. Typically, this command is used at the very beginning
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of an input script.
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For {real} and {metal} units, LAMMPS uses physical constants from
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www.physics.nist.gov. For the definition of Kcal in real units, LAMMPS
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uses the thermochemical calorie = 4.184 J.
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For all units except {lj}, LAMMPS uses physical constants from
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www.physics.nist.gov. For the definition of Kcal in real units,
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LAMMPS uses the thermochemical calorie = 4.184 J.
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For style {lj}, all quantities are unitless. Without loss of
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generality, LAMMPS sets the fundamental quantities mass, sigma,
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@ -98,12 +98,28 @@ charge = Coulombs
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dipole = Coulombs*meters
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electric field = volts/meter :ul
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This command also sets the timestep size and neighbor skin distance to
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default values for each style. For style {lj} these are dt = 0.005
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tau and skin = 0.3 sigma. For style {real} these are dt = 1.0 fmsec
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and skin = 2.0 Angstroms. For style {metal} these are dt = 0.001 psec
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and skin = 2.0 Angstroms. For style {si} these are dt = 1.0e-8 sec and
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skin = 0.001 meters.
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For style {cgs}, these are the units:
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mass = grams
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distance = centimeters
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time = seconds
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energy = ergs
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velocity = cm/second
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force = dynes
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temperature = degrees K
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pressure = dyne/cm^2 or barye = 1.0e-6 bars
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viscosity = Poise
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charge = statcoulombs or esu
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dipole = debye
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electric field = statvolt/cm or dyne/esu :ul
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The units command also sets the timestep size and neighbor skin
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distance to default values for each style. For style {lj} these are
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dt = 0.005 tau and skin = 0.3 sigma. For style {real} these are dt =
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1.0 fmsec and skin = 2.0 Angstroms. For style {metal} these are dt =
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0.001 psec and skin = 2.0 Angstroms. For style {si} these are dt =
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1.0e-8 sec and skin = 0.001 meters. For style {cgs} these are dt =
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1.0e-8 sec and skin = 0.1 cm.
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[Restrictions:]
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