(ee6325d3) · Commits · 郑智淋 / lammps

doc/atom_style.html

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		@@ -15,7 +15,7 @@
		</P>
		<PRE>atom_style style args
		</PRE>
		<UL><LI>style = <I>angle</I> or <I>atomic</I> or <I>bond</I> or <I>charge</I> or <I>dipole</I> or <I>dpd</I> or <I>ellipsoid</I> or <I>full</I> or <I>granular</I> or <I>molecular</I> or <I>hybrid</I>
		<UL><LI>style = <I>angle</I> or <I>atomic</I> or <I>bond</I> or <I>charge</I> or <I>dipole</I> or <I>dpd</I> or <I>ellipsoid</I> or <I>full</I> or <I>granular</I> or <I>molecular</I> or <I>peri</I> <I>hybrid</I>
		</UL>
		<PRE> args = none for any style except <I>hybrid</I>
		<I>hybrid</I> args = list of one or more sub-styles
		@@ -58,6 +58,7 @@ velocities, atom IDs and types.
		<LI><I>full</I> = molecular + charge - e.g. biomolecules, charged polymers
		<LI><I>granular</I> = granular atoms with rotational properties
		<LI><I>molecular</I> = bonds, angles, dihedrals, impropers - e.g. all-atom polymers
		<LI><I>peri</I> = mass, volume - e.g. mesocopic Peridynamics
		</UL>
		<P>Typically, simulations require only a single (non-hybrid) atom style.
		If some atoms in the simulation do not have all the properties defined
		@@ -84,7 +85,8 @@ section</A>.
		"molecular" package. The <I>granular</I> style is part of the "granular"
		package. The <I>dpd</I> style is part of the "dpd" package. The <I>dipole</I>
		style is part of the "dipole" package. The <I>ellipsoid</I> style is part
		of the "ellipsoid" package. They are only enabled if LAMMPS was built
		of the "ellipsoid" package. The <I>peri</I> style is part of the "peri"
		package for Peridynamics. They are 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>

doc/atom_style.txt

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		@@ -13,7 +13,7 @@ atom_style command :h3
		atom_style style args :pre

		style = {angle} or {atomic} or {bond} or {charge} or {dipole} or \
		{dpd} or {ellipsoid} or {full} or {granular} or {molecular} or \
		{dpd} or {ellipsoid} or {full} or {granular} or {molecular} or {peri} \
		{hybrid} :ul
		args = none for any style except {hybrid}
		{hybrid} args = list of one or more sub-styles :pre
		@@ -55,7 +55,8 @@ velocities, atom IDs and types.
		{ellipsoid} = quaternion for particle orientation, angular velocity/momentum
		{full} = molecular + charge - e.g. biomolecules, charged polymers
		{granular} = granular atoms with rotational properties
		{molecular} = bonds, angles, dihedrals, impropers - e.g. all-atom polymers :ul
		{molecular} = bonds, angles, dihedrals, impropers - e.g. all-atom polymers
		{peri} = mass, volume - e.g. mesocopic Peridynamics :ul

		Typically, simulations require only a single (non-hybrid) atom style.
		If some atoms in the simulation do not have all the properties defined
		@@ -82,7 +83,8 @@ The {angle}, {bond}, {full}, and {molecular} styles are part of the
		"molecular" package. The {granular} style is part of the "granular"
		package. The {dpd} style is part of the "dpd" package. The {dipole}
		style is part of the "dipole" package. The {ellipsoid} style is part
		of the "ellipsoid" package. They are only enabled if LAMMPS was built
		of the "ellipsoid" package. The {peri} style is part of the "peri"
		package for Peridynamics. They are only enabled if LAMMPS was built
		with that package. See the "Making LAMMPS"_Section_start.html#2_3
		section for more info.

doc/compute_damage_atom.html

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		<HTML>
		<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
		</CENTER>






		<HR>

		<H3>compute damage/peri command
		</H3>
		<P><B>Syntax:</B>
		</P>
		<PRE>compute ID group-ID damage/atom
		</PRE>
		<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
		<LI>damage/atom = style name of this compute command
		</UL>
		<P><B>Examples:</B>
		</P>
		<PRE>compute 1 all damage/atom
		</PRE>
		<P><B>Description:</B>
		</P>
		<P>Define a computation that calculates the per-atom damage for each atom
		in a group. Please see the <A HREF = "http://www.sandia.gov/~mlparks/papers/PDLAMMPS.pdf">PDLAMMPS user
		guide</A> for a formal
		definition of "damage" and more details about Peridynamics as it is
		implemented in LAMMPS.
		</P>
		<P>The value of the damage will be 0.0 for atoms not in the specified
		compute group.
		</P>
		<P><B>Output info:</B>
		</P>
		<P>This compute calculates a scalar quantity for each atom, which can be
		accessed by any command that uses per-atom computes as input. See
		<A HREF = "Section_howto.html#4_15">this section</A> for an overview of LAMMPS
		output options.
		</P>
		<P><B>Restrictions:</B>
		</P>
		<P>The <I>damage/peri</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>
		<P><B>Related commands:</B>
		</P>
		<P><A HREF = "dump.html">dump custom</A>
		</P>
		<P><B>Default:</B> none
		</P>
		</HTML>

doc/compute_damage_atom.txt

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		"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

		:link(lws,http://lammps.sandia.gov)
		:link(ld,Manual.html)
		:link(lc,Section_commands.html#comm)

		:line

		compute damage/peri command :h3

		[Syntax:]

		compute ID group-ID damage/atom :pre

		ID, group-ID are documented in "compute"_compute.html command
		damage/atom = style name of this compute command :ul

		[Examples:]

		compute 1 all damage/atom :pre

		[Description:]

		Define a computation that calculates the per-atom damage for each atom
		in a group. Please see the "PDLAMMPS user
		guide"_http://www.sandia.gov/~mlparks/papers/PDLAMMPS.pdf for a formal
		definition of "damage" and more details about Peridynamics as it is
		implemented in LAMMPS.

		The value of the damage will be 0.0 for atoms not in the specified
		compute group.

		[Output info:]

		This compute calculates a scalar quantity for each atom, which can be
		accessed by any command that uses per-atom computes as input. See
		"this section"_Section_howto.html#4_15 for an overview of LAMMPS
		output options.

		[Restrictions:]

		The {damage/peri} 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.

		[Related commands:]

		"dump custom"_dump.html

		[Default:] none

doc/compute_damage_peri.html

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		<HTML>
		<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
		</CENTER>






		<HR>

		<H3>compute damage/peri command
		</H3>
		<P><B>Syntax:</B>
		</P>
		<PRE>compute ID group-ID damage/peri
		</PRE>
		<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
		<LI>damage/peri = style name of this compute command
		</UL>
		<P><B>Examples:</B>
		</P>
		<PRE>compute 1 all damage/peri
		</PRE>
		<P><B>Description:</B>
		</P>
		<P>Define a computation that calculates the per-atom damage
		for each atom in a group.
		Please see the
		<A HREF = "http://www.sandia.gov/~mlparks/papers/PDLAMMPS.pdf">PDLAMMPS</A> user guide for
		more
		details.
		</P>
		<P>The value of the damage will be 0.0 for atoms not in the
		specified compute group.
		</P>
		<P><B>Output info:</B>
		</P>
		<P>This compute calculates a scalar quantity for each atom, which can be
		accessed by any command that uses per-atom computes as input. See
		<A HREF = "Section_howto.html#4_15">this section</A> for an overview of LAMMPS
		output options.
		</P>
		<P><B>Restrictions:</B> The <I>damage/peri</I> style is part of the "peridynamic" package. It
		is only
		enabled if LAMMPS was built with that package (which it is not by
		default). See the <A HREF = "Section_start.html#2_3">Making LAMMPS</A> section for
		more info.
		</P>
		<P><B>Related commands:</B>
		</P>
		<P><A HREF = "dump.html">dump custom</A>
		</P>
		<P><B>Default:</B> none
		</P>
		</HTML>

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