git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9351 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2013-01-31 17:46:29 +00:00
parent bde38bc217
commit a5ddc93365
4 changed files with 74 additions and 78 deletions

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@ -18,8 +18,8 @@
<UL><LI>style = <I>angle</I> or <I>atomic</I> or <I>body</I> or <I>bond</I> or <I>charge</I> or <I>dipole</I> or <I>electron</I> or <I>ellipsoid</I> or <I>full</I> or <I>line</I> or <I>meso</I> or <I>molecular</I> or <I>peri</I> or <I>sphere</I> or <I>tri</I> or <I>hybrid</I> <UL><LI>style = <I>angle</I> or <I>atomic</I> or <I>body</I> or <I>bond</I> or <I>charge</I> or <I>dipole</I> or <I>electron</I> or <I>ellipsoid</I> or <I>full</I> or <I>line</I> or <I>meso</I> or <I>molecular</I> or <I>peri</I> or <I>sphere</I> or <I>tri</I> or <I>hybrid</I>
</UL> </UL>
<PRE> args = none for any style except <I>body</I> and <I>hybrid</I> <PRE> args = none for any style except <I>body</I> and <I>hybrid</I>
<I>body</I> args = Bstyle <I>body</I> args = bstyle
Bstyle = style of body particles bstyle = style of body particles
<I>hybrid</I> args = list of one or more sub-styles, each with their args <I>hybrid</I> args = list of one or more sub-styles, each with their args
</PRE> </PRE>
<P><B>Examples:</B> <P><B>Examples:</B>
@ -27,9 +27,9 @@
<PRE>atom_style atomic <PRE>atom_style atomic
atom_style bond atom_style bond
atom_style full atom_style full
atom_style body nparticle atom_style body nparticle 2 10
atom_style hybrid charge bond atom_style hybrid charge bond
atom_style hybrid charge body nparticle atom_style hybrid charge body nparticle 2 5
</PRE> </PRE>
<P><B>Description:</B> <P><B>Description:</B>
</P> </P>
@ -122,21 +122,18 @@ points of the triangle).
</P> </P>
<P>For the <I>body</I> style, the particles are arbitrary bodies with internal <P>For the <I>body</I> style, the particles are arbitrary bodies with internal
attributes defined by the "style" of the bodies, which is specified by attributes defined by the "style" of the bodies, which is specified by
the <I>Bstyle</I> argument. Each body particle stores moments of inertia the <I>bstyle</I> argument. This atom style enables LAMMPS to work with
and a quaternion 4-vector, so that its orientation can be time particles that represent complex entities, such as surface meshes of
integrated. This atom style enables LAMMPS to work with particles discrete points, collections of sub-particles, deformable objects,
that represent complex entities, such as surface meshes of discrete etc. Of course, the interactions between pairs of bodies will need to
points, collections of sub-particles, deformable objects, etc. Of be encoded in an appropriate pair style.
course, the interactions between pairs of bodies will need to be
encoded in an appropriate pair style.
</P> </P>
<P>These are the body styles that LAMMPS currently supports. The name in <P>The <A HREF = "body.html">body</A> doc page descibes the body styles LAMMPS
the first column is used as the <I>Bstyle</I> argument for atom_style body: currently supports, and provides more details as to the kind of body
particles they represent. For all styles, each body particle stores
moments of inertia and a quaternion 4-vector, so that its orientation
and position can be time integrated due to forces and torques.
</P> </P>
<DIV ALIGN=center><TABLE BORDER=1 >
<TR><TD ><I>nparticle</I> </TD><TD > body with N sub-particles
</TD></TR></TABLE></DIV>
<HR> <HR>
<P>Typically, simulations require only a single (non-hybrid) atom style. <P>Typically, simulations require only a single (non-hybrid) atom style.
@ -162,15 +159,16 @@ styles; see <A HREF = "Section_modify.html">this section</A>.
<A HREF = "read_data.html">read_data</A> or <A HREF = "create_box.html">create_box</A> command. <A HREF = "read_data.html">read_data</A> or <A HREF = "create_box.html">create_box</A> command.
</P> </P>
<P>The <I>angle</I>, <I>bond</I>, <I>full</I>, and <I>molecular</I> styles are part of the <P>The <I>angle</I>, <I>bond</I>, <I>full</I>, and <I>molecular</I> styles are part of the
MOLECULAR package. The <I>line</I>, <I>tri</I>, and <I>body</I> styles are part of MOLECULAR package. The <I>line</I> and <I>tri</I> styles are part of the
the ASPHERE pacakge. The <I>dipole</I> style is part of the DIPOLE ASPHERE pacakge. The <I>body</I> style is part of the BODY package. The
package. The <I>peri</I> style is part of the PERI package for <I>dipole</I> style is part of the DIPOLE package. The <I>peri</I> style is
Peridynamics. The <I>electron</I> style is part of the USER-EFF package part of the PERI package for Peridynamics. The <I>electron</I> style is
for <A HREF = "pair_eff.html">electronic force fields</A>. The <I>meso</I> style is part part of the USER-EFF package for <A HREF = "pair_eff.html">electronic force
of the USER-SPH package for smoothed particle hydrodyanmics (SPH). fields</A>. The <I>meso</I> style is part of the USER-SPH
See <A HREF = "USER/sph/SPH_LAMMPS_userguide.pdf">this PDF guide</A> to using SPH in package for smoothed particle hydrodyanmics (SPH). See <A HREF = "USER/sph/SPH_LAMMPS_userguide.pdf">this PDF
LAMMPS. The <I>wavepacket</I> style is part of the USER-AWPMD package for guide</A> to using SPH in LAMMPS. The
the <A HREF = "pair_awpmd.html">antisymmetrized wave packet MD method</A>. They are <I>wavepacket</I> style is part of the USER-AWPMD package for the
<A HREF = "pair_awpmd.html">antisymmetrized wave packet MD method</A>. They are
only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making only enabled if LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
LAMMPS</A> section for more info. LAMMPS</A> section for more info.
</P> </P>

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@ -16,8 +16,8 @@ style = {angle} or {atomic} or {body} or {bond} or {charge} or {dipole} or \
{electron} or {ellipsoid} or {full} or {line} or {meso} or \ {electron} or {ellipsoid} or {full} or {line} or {meso} or \
{molecular} or {peri} or {sphere} or {tri} or {hybrid} :ul {molecular} or {peri} or {sphere} or {tri} or {hybrid} :ul
args = none for any style except {body} and {hybrid} args = none for any style except {body} and {hybrid}
{body} args = Bstyle {body} args = bstyle
Bstyle = style of body particles bstyle = style of body particles
{hybrid} args = list of one or more sub-styles, each with their args :pre {hybrid} args = list of one or more sub-styles, each with their args :pre
[Examples:] [Examples:]
@ -25,9 +25,9 @@ style = {angle} or {atomic} or {body} or {bond} or {charge} or {dipole} or \
atom_style atomic atom_style atomic
atom_style bond atom_style bond
atom_style full atom_style full
atom_style body nparticle atom_style body nparticle 2 10
atom_style hybrid charge bond atom_style hybrid charge bond
atom_style hybrid charge body nparticle :pre atom_style hybrid charge body nparticle 2 5 :pre
[Description:] [Description:]
@ -118,18 +118,17 @@ points of the triangle).
For the {body} style, the particles are arbitrary bodies with internal For the {body} style, the particles are arbitrary bodies with internal
attributes defined by the "style" of the bodies, which is specified by attributes defined by the "style" of the bodies, which is specified by
the {Bstyle} argument. Each body particle stores moments of inertia the {bstyle} argument. This atom style enables LAMMPS to work with
and a quaternion 4-vector, so that its orientation can be time particles that represent complex entities, such as surface meshes of
integrated. This atom style enables LAMMPS to work with particles discrete points, collections of sub-particles, deformable objects,
that represent complex entities, such as surface meshes of discrete etc. Of course, the interactions between pairs of bodies will need to
points, collections of sub-particles, deformable objects, etc. Of be encoded in an appropriate pair style.
course, the interactions between pairs of bodies will need to be
encoded in an appropriate pair style.
These are the body styles that LAMMPS currently supports. The name in The "body"_body.html doc page descibes the body styles LAMMPS
the first column is used as the {Bstyle} argument for atom_style body: currently supports, and provides more details as to the kind of body
particles they represent. For all styles, each body particle stores
{nparticle} | body with N sub-particles :tb(c=2,s=|) moments of inertia and a quaternion 4-vector, so that its orientation
and position can be time integrated due to forces and torques.
:line :line
@ -156,15 +155,16 @@ This command cannot be used after the simulation box is defined by a
"read_data"_read_data.html or "create_box"_create_box.html command. "read_data"_read_data.html or "create_box"_create_box.html command.
The {angle}, {bond}, {full}, and {molecular} styles are part of the The {angle}, {bond}, {full}, and {molecular} styles are part of the
MOLECULAR package. The {line}, {tri}, and {body} styles are part of MOLECULAR package. The {line} and {tri} styles are part of the
the ASPHERE pacakge. The {dipole} style is part of the DIPOLE ASPHERE pacakge. The {body} style is part of the BODY package. The
package. The {peri} style is part of the PERI package for {dipole} style is part of the DIPOLE package. The {peri} style is
Peridynamics. The {electron} style is part of the USER-EFF package part of the PERI package for Peridynamics. The {electron} style is
for "electronic force fields"_pair_eff.html. The {meso} style is part part of the USER-EFF package for "electronic force
of the USER-SPH package for smoothed particle hydrodyanmics (SPH). fields"_pair_eff.html. The {meso} style is part of the USER-SPH
See "this PDF guide"_USER/sph/SPH_LAMMPS_userguide.pdf to using SPH in package for smoothed particle hydrodyanmics (SPH). See "this PDF
LAMMPS. The {wavepacket} style is part of the USER-AWPMD package for guide"_USER/sph/SPH_LAMMPS_userguide.pdf to using SPH in LAMMPS. The
the "antisymmetrized wave packet MD method"_pair_awpmd.html. They are {wavepacket} style is part of the USER-AWPMD package for the
"antisymmetrized wave packet MD method"_pair_awpmd.html. They are
only enabled if LAMMPS was built with that package. See the "Making only enabled if LAMMPS was built with that package. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info. LAMMPS"_Section_start.html#start_3 section for more info.

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@ -379,12 +379,10 @@ It can be set to 0.0, which means that atom is a point particle.
</P> </P>
<P>The ellipsoidflag, lineflag, triangleflag, and bodyflag determine <P>The ellipsoidflag, lineflag, triangleflag, and bodyflag determine
whether the particle is a finite-size ellipsoid or line or triangle or whether the particle is a finite-size ellipsoid or line or triangle or
body of finite size, or a point particle. Additional attributes must body of finite size, or whether the particle is a point particle.
be defined for each ellipsoid in the <I>Ellipsoids</I> section. Additional Additional attributes must be defined for each ellipsoid, line,
attributes must be defined for each line in the <I>Lines</I> section. triangle, or body in the corresponding <I>Ellipsoids</I>, <I>Lines</I>,
Additional attributes must be defined for each triangle in the <I>Triangles</I>, or <I>Bodies</I> section.
<I>Triangles</I> section. Additional attributes must be defined for each
body in the <I>Bodies</I> section.
</P> </P>
<P>Some pair styles and fixes and computes that operate on finite-size <P>Some pair styles and fixes and computes that operate on finite-size
particles allow for a mixture of finite-size and point particles. See particles allow for a mixture of finite-size and point particles. See
@ -395,10 +393,10 @@ particle volume to set the mass of each particle as mass = density *
volume. In this context, volume can be a 3d quantity (for spheres or volume. In this context, volume can be a 3d quantity (for spheres or
ellipsoids), a 2d quantity (for triangles), or a 1d quantity (for line ellipsoids), a 2d quantity (for triangles), or a 1d quantity (for line
segments). If the volume is 0.0, meaning a point particle, then the segments). If the volume is 0.0, meaning a point particle, then the
density value is used as the mass. One exception is for the body density value is used as the mass. One exception is for the body atom
style, in which case the mass of each particle (body or point style, in which case the mass of each particle (body or point
particle) is specified explicitly. This is because the volume of the particle) is specified explicitly. This is because the volume of the
body is not known. body is unknown.
</P> </P>
<P>For atom_style hybrid, following the 5 initial values (ID,type,x,y,z), <P>For atom_style hybrid, following the 5 initial values (ID,type,x,y,z),
specific values for each sub-style must be listed. The order of the specific values for each sub-style must be listed. The order of the
@ -475,14 +473,15 @@ script.
</UL> </UL>
<P>The <I>Bodies</I> section must appear if <A HREF = "atom_style.html">atom_style body</A> <P>The <I>Bodies</I> section must appear if <A HREF = "atom_style.html">atom_style body</A>
is used and any atoms are listed in the <I>Atoms</I> section with a is used and any atoms listed in the <I>Atoms</I> section have a bodyflag =
bodyflag = 1. The number of bodies should be specified in the header 1. The number of bodies should be specified in the header section via
section via the "bodies" keyword. the "bodies" keyword.
</P> </P>
<P>Each body can have a variable number of integer and/or floating-point <P>Each body can have a variable number of integer and/or floating-point
values. The number and meaning of the values is defined by the Body values. The number and meaning of the values is defined by the body
style which will process and store them for each body. This style is style, as described in the <A HREF = "body.html">body</A> doc page. The body style
given as an argument to the <A HREF = "atom_style.html">atom_style body</A> command. is given as an argument to the <A HREF = "atom_style.html">atom_style body</A>
command.
</P> </P>
<P>The ninteger and ndouble values determine how many integer and <P>The ninteger and ndouble values determine how many integer and
floating-point values are specified for this particle. Ninteger and floating-point values are specified for this particle. Ninteger and

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@ -355,12 +355,10 @@ It can be set to 0.0, which means that atom is a point particle.
The ellipsoidflag, lineflag, triangleflag, and bodyflag determine The ellipsoidflag, lineflag, triangleflag, and bodyflag determine
whether the particle is a finite-size ellipsoid or line or triangle or whether the particle is a finite-size ellipsoid or line or triangle or
body of finite size, or a point particle. Additional attributes must body of finite size, or whether the particle is a point particle.
be defined for each ellipsoid in the {Ellipsoids} section. Additional Additional attributes must be defined for each ellipsoid, line,
attributes must be defined for each line in the {Lines} section. triangle, or body in the corresponding {Ellipsoids}, {Lines},
Additional attributes must be defined for each triangle in the {Triangles}, or {Bodies} section.
{Triangles} section. Additional attributes must be defined for each
body in the {Bodies} section.
Some pair styles and fixes and computes that operate on finite-size Some pair styles and fixes and computes that operate on finite-size
particles allow for a mixture of finite-size and point particles. See particles allow for a mixture of finite-size and point particles. See
@ -371,10 +369,10 @@ particle volume to set the mass of each particle as mass = density *
volume. In this context, volume can be a 3d quantity (for spheres or volume. In this context, volume can be a 3d quantity (for spheres or
ellipsoids), a 2d quantity (for triangles), or a 1d quantity (for line ellipsoids), a 2d quantity (for triangles), or a 1d quantity (for line
segments). If the volume is 0.0, meaning a point particle, then the segments). If the volume is 0.0, meaning a point particle, then the
density value is used as the mass. One exception is for the body density value is used as the mass. One exception is for the body atom
style, in which case the mass of each particle (body or point style, in which case the mass of each particle (body or point
particle) is specified explicitly. This is because the volume of the particle) is specified explicitly. This is because the volume of the
body is not known. body is unknown.
For atom_style hybrid, following the 5 initial values (ID,type,x,y,z), For atom_style hybrid, following the 5 initial values (ID,type,x,y,z),
specific values for each sub-style must be listed. The order of the specific values for each sub-style must be listed. The order of the
@ -442,14 +440,15 @@ example: :l
:ule :ule
The {Bodies} section must appear if "atom_style body"_atom_style.html The {Bodies} section must appear if "atom_style body"_atom_style.html
is used and any atoms are listed in the {Atoms} section with a is used and any atoms listed in the {Atoms} section have a bodyflag =
bodyflag = 1. The number of bodies should be specified in the header 1. The number of bodies should be specified in the header section via
section via the "bodies" keyword. the "bodies" keyword.
Each body can have a variable number of integer and/or floating-point Each body can have a variable number of integer and/or floating-point
values. The number and meaning of the values is defined by the Body values. The number and meaning of the values is defined by the body
style which will process and store them for each body. This style is style, as described in the "body"_body.html doc page. The body style
given as an argument to the "atom_style body"_atom_style.html command. is given as an argument to the "atom_style body"_atom_style.html
command.
The ninteger and ndouble values determine how many integer and The ninteger and ndouble values determine how many integer and
floating-point values are specified for this particle. Ninteger and floating-point values are specified for this particle. Ninteger and