(ca9b0f7d) · Commits · 郑智淋 / lammps

doc/Section_commands.html

+37 −16

Original line number	Diff line number	Diff line
		@@ -313,9 +313,8 @@ in the command's documentation.

		<HR>

		<P>Fix commands. See the <A HREF = "fix.html">fix</A> command for one-line
		descriptions of each style or click on the style itself for a full
		description:
		<P>Fix styles. See the <A HREF = "fix.html">fix</A> command for one-line descriptions
		of each style or click on the style itself for a full description:
		</P>
		<DIV ALIGN=center><TABLE BORDER=1 >
		<TR ALIGN="center"><TD ><A HREF = "fix_addforce.html">addforce</A></TD><TD ><A HREF = "fix_aveforce.html">aveforce</A></TD><TD ><A HREF = "fix_ave_atom.html">ave/atom</A></TD><TD ><A HREF = "fix_ave_spatial.html">ave/spatial</A></TD><TD ><A HREF = "fix_ave_time.html">ave/time</A></TD><TD ><A HREF = "fix_com.html">com</A></TD><TD ><A HREF = "fix_deform.html">deform</A></TD><TD ><A HREF = "fix_deposit.html">deposit</A></TD></TR>
		@@ -329,17 +328,24 @@ description:

		<HR>

		<P>Compute commands. See the <A HREF = "compute.html">compute</A> command for one-line
		<P>Compute styles. See the <A HREF = "compute.html">compute</A> command for one-line
		descriptions of each style or click on the style itself for a full
		description:
		</P>
		<DIV ALIGN=center><TABLE BORDER=1 >
		<TR ALIGN="center"><TD ><A HREF = "compute_attribute_atom.html">attribute/atom</A></TD><TD ><A HREF = "compute_centro_atom.html">centro/atom</A></TD><TD ><A HREF = "compute_coord_atom.html">coord/atom</A></TD><TD ><A HREF = "compute_ebond_atom.html">ebond/atom</A></TD><TD ><A HREF = "compute_epair_atom.html">epair/atom</A></TD><TD ><A HREF = "compute_ke_atom.html">ke/atom</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_pressure.html">pressure</A></TD><TD ><A HREF = "compute_rotate_dipole.html">rotate/dipole</A></TD><TD ><A HREF = "compute_rotate_gran.html">rotate/gran</A></TD><TD ><A HREF = "compute_stress_atom.html">stress/atom</A></TD><TD ><A HREF = "compute_sum_atom.html">sum/atom</A></TD><TD ><A HREF = "compute_temp.html">temp</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_temp_deform.html">temp/deform</A></TD><TD ><A HREF = "compute_temp_asphere.html">temp/asphere</A></TD><TD ><A HREF = "compute_temp_dipole.html">temp/dipole</A></TD><TD ><A HREF = "compute_temp_partial.html">temp/partial</A></TD><TD ><A HREF = "compute_temp_ramp.html">temp/ramp</A></TD><TD ><A HREF = "compute_temp_region.html">temp/region</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_temp_asphere.html">temp/asphere</A></TD><TD ><A HREF = "compute_temp_deform.html">temp/deform</A></TD><TD ><A HREF = "compute_temp_dipole.html">temp/dipole</A></TD><TD ><A HREF = "compute_temp_partial.html">temp/partial</A></TD><TD ><A HREF = "compute_temp_ramp.html">temp/ramp</A></TD><TD ><A HREF = "compute_temp_region.html">temp/region</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_variable.html">variable</A></TD><TD ><A HREF = "compute_variable_atom.html">variable/atom</A>
		</TD></TR></TABLE></DIV>

		<P>These are compute styles contributed by users, which can be used if
		<A HREF = "Section_start.html#2_3">LAMMPS is built with the appropriate package</A>.
		</P>
		<DIV ALIGN=center><TABLE BORDER=1 >
		<TR ALIGN="center"><TD ><A HREF = "compute_ackland.html">ackland</A>
		</TD></TR></TABLE></DIV>

		<HR>

		<P>Pair_style potentials. See the <A HREF = "pair_style.html">pair_style</A> command
		@@ -347,17 +353,25 @@ for an overview of pair potentials. Click on the style itself for a
		full description:
		</P>
		<DIV ALIGN=center><TABLE BORDER=1 >
		<TR ALIGN="center"><TD ><A HREF = "pair_none.html">none</A></TD><TD ><A HREF = "pair_hybrid.html">hybrid</A></TD><TD ><A HREF = "pair_airebo.html">airebo</A></TD><TD ><A HREF = "pair_buck.html">buck</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/coul/cut</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long</A></TD><TD ><A HREF = "pair_colloid.html">colloid</A></TD><TD ><A HREF = "pair_dipole/cut.html">dipole/cut</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_dpd.html">dpd</A></TD><TD ><A HREF = "pair_eam.html">eam</A></TD><TD ><A HREF = "pair_eam.html">eam/opt</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/alloy/opt</A></TD><TD ><A HREF = "pair_eam.html">eam/fs</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/opt</A></TD><TD ><A HREF = "pair_gayberne.html">gayberne</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_gran.html">gran/hertzian</A></TD><TD ><A HREF = "pair_gran.html">gran/history</A></TD><TD ><A HREF = "pair_gran.html">gran/no_history</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/opt</A></TD><TD ><A HREF = "pair_class2.html">lj/class2</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/opt</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/tip4p</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_lj_expand.html">lj/expand</A></TD><TD ><A HREF = "pair_lj_smooth.html">lj/smooth</A></TD><TD ><A HREF = "pair_meam.html">meam</A></TD><TD ><A HREF = "pair_morse.html">morse</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_morse.html">morse/opt</A></TD><TD ><A HREF = "pair_soft.html">soft</A></TD><TD ><A HREF = "pair_sw.html">sw</A></TD><TD ><A HREF = "pair_table.html">table</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_tersoff.html">tersoff</A></TD><TD ><A HREF = "pair_yukawa.html">yukawa</A>
		<TR ALIGN="center"><TD ><A HREF = "pair_none.html">none</A></TD><TD ><A HREF = "pair_hybrid.html">hybrid</A></TD><TD ><A HREF = "pair_hybrid.html">hybrid/overlay</A></TD><TD ><A HREF = "pair_airebo.html">airebo</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long</A></TD><TD ><A HREF = "pair_colloid.html">colloid</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/cut</A></TD><TD ><A HREF = "pair_long.html">coul/long</A></TD><TD ><A HREF = "pair_dipole/cut.html">dipole/cut</A></TD><TD ><A HREF = "pair_dpd.html">dpd</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam</A></TD><TD ><A HREF = "pair_eam.html">eam/opt</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy/opt</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/fs</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/opt</A></TD><TD ><A HREF = "pair_gayberne.html">gayberne</A></TD><TD ><A HREF = "pair_gran.html">gran/hertzian</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_gran.html">gran/history</A></TD><TD ><A HREF = "pair_gran.html">gran/no_history</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/opt</A></TD><TD ><A HREF = "pair_class2.html">lj/class2</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/opt</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/tip4p</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_lj_smooth.html">lj/smooth</A></TD><TD ><A HREF = "pair_meam.html">meam</A></TD><TD ><A HREF = "pair_morse.html">morse</A></TD><TD ><A HREF = "pair_morse.html">morse/opt</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_soft.html">soft</A></TD><TD ><A HREF = "pair_sw.html">sw</A></TD><TD ><A HREF = "pair_table.html">table</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_yukawa.html">yukawa</A>
		</TD></TR></TABLE></DIV>

		<P>These are pair styles contributed by users, which can be used if
		<A HREF = "Section_start.html#2_3">LAMMPS is built with the appropriate package</A>.
		</P>
		<DIV ALIGN=center><TABLE BORDER=1 >
		<TR ALIGN="center"><TD ><A HREF = "pair_buck_coul.html">buck/coul</A></TD><TD ><A HREF = "pair_lj_coul.html">lj/coul</A>
		</TD></TR></TABLE></DIV>

		<HR>
		@@ -417,4 +431,11 @@ description:
		<TR ALIGN="center"><TD WIDTH="100"><A HREF = "kspace_style.html">ewald</A></TD><TD WIDTH="100"><A HREF = "kspace_style.html">pppm</A></TD><TD WIDTH="100"><A HREF = "kspace_style.html">pppm/tip4p</A>
		</TD></TR></TABLE></DIV>

		<P>These are Kspace solvers contributed by users, which can be used if
		<A HREF = "Section_start.html#2_3">LAMMPS is built with the appropriate package</A>.
		</P>
		<DIV ALIGN=center><TABLE BORDER=1 >
		<TR ALIGN="center"><TD WIDTH="100"><A HREF = "ewald_n.html">ewald/n</A>
		</TD></TR></TABLE></DIV>

		</HTML>

doc/Section_commands.txt

+23 −5

Original line number	Diff line number	Diff line
		@@ -372,9 +372,8 @@ in the command's documentation.

		:line

		Fix commands. See the "fix"_fix.html command for one-line
		descriptions of each style or click on the style itself for a full
		description:
		Fix styles. See the "fix"_fix.html command for one-line descriptions
		of each style or click on the style itself for a full description:

		"addforce"_fix_addforce.html,
		"aveforce"_fix_aveforce.html,
		@@ -433,7 +432,7 @@ description:

		:line

		Compute commands. See the "compute"_compute.html command for one-line
		Compute styles. See the "compute"_compute.html command for one-line
		descriptions of each style or click on the style itself for a full
		description:

		@@ -449,8 +448,8 @@ description:
		"stress/atom"_compute_stress_atom.html,
		"sum/atom"_compute_sum_atom.html,
		"temp"_compute_temp.html,
		"temp/deform"_compute_temp_deform.html,
		"temp/asphere"_compute_temp_asphere.html,
		"temp/deform"_compute_temp_deform.html,
		"temp/dipole"_compute_temp_dipole.html,
		"temp/partial"_compute_temp_partial.html,
		"temp/ramp"_compute_temp_ramp.html,
		@@ -458,6 +457,11 @@ description:
		"variable"_compute_variable.html,
		"variable/atom"_compute_variable_atom.html :tb(c=6,ea=c)

		These are compute styles contributed by users, which can be used if
		"LAMMPS is built with the appropriate package"_Section_start.html#2_3.

		"ackland"_compute_ackland.html :tb(c=6,ea=c)

		:line

		Pair_style potentials. See the "pair_style"_pair_style.html command
		@@ -466,11 +470,14 @@ full description:

		"none"_pair_none.html,
		"hybrid"_pair_hybrid.html,
		"hybrid/overlay"_pair_hybrid.html,
		"airebo"_pair_airebo.html,
		"buck"_pair_buck.html,
		"buck/coul/cut"_pair_buck.html,
		"buck/coul/long"_pair_buck.html,
		"colloid"_pair_colloid.html,
		"coul/cut"_pair_coul.html,
		"coul/long"_pair_long.html,
		"dipole/cut"_pair_dipole/cut.html,
		"dpd"_pair_dpd.html,
		"eam"_pair_eam.html,
		@@ -507,6 +514,12 @@ full description:
		"tersoff"_pair_tersoff.html,
		"yukawa"_pair_yukawa.html :tb(c=4,ea=c)

		These are pair styles contributed by users, which can be used if
		"LAMMPS is built with the appropriate package"_Section_start.html#2_3.

		"buck/coul"_pair_buck_coul.html,
		"lj/coul"_pair_lj_coul.html :tb(c=4,ea=c)

		:line

		Bond_style potentials. See the "bond_style"_bond_style.html command
		@@ -575,3 +588,8 @@ description:
		"ewald"_kspace_style.html,
		"pppm"_kspace_style.html,
		"pppm/tip4p"_kspace_style.html :tb(c=4,ea=c,w=100)

		These are Kspace solvers contributed by users, which can be used if
		"LAMMPS is built with the appropriate package"_Section_start.html#2_3.

		"ewald/n"_ewald_n.html :tb(c=4,ea=c,w=100)

doc/Section_start.html

+85 −20

Original line number	Diff line number	Diff line
		@@ -264,14 +264,18 @@ build it. In the src/MAKE/Windows directory are some notes from users
		on how they built LAMMPS under Windows, so you can look at their
		instructions for tips. Good luck - we can't help you on this one.
		</P>
		<HR>

		<H4><A NAME = "2_3"></A>2.3 Making LAMMPS with optional packages
		</H4>
		<P>The source code for LAMMPS is structured as a large set of core files
		that are always used plus additional packages, which are groups of
		files that enable a specific set of features. For example, force
		fields for molecular systems or granular systems are in packages. You
		can see the list of packages by typing "make package". The current
		list of packages is as follows:
		that are always used plus additional optional packages, which are
		groups of files that enable a specific set of features. For example,
		force fields for molecular systems or granular systems are in
		packages. You can see the list of both standard and user-contributed
		packages by typing "make package".
		</P>
		<P>The current list of standard packages is as follows:
		</P>
		<DIV ALIGN=center><TABLE BORDER=1 >
		<TR><TD >asphere </TD><TD > aspherical particles and force fields</TD></TR>
		@@ -289,27 +293,86 @@ list of packages is as follows:
		<TR><TD >xtc </TD><TD > dump atom snapshots in XTC format
		</TD></TR></TABLE></DIV>

		<P>There are also user-contributed packages which may be as simple as a
		single additional file (class) or many files grouped together which
		add a specific functionality to the code. The difference between a
		<I>standard</I> package versus a <I>user</I> package is as follows.
		</P>
		<P>Standard packages are supported by the LAMMPS developers and are
		written in a syntax and style consistent with the rest of LAMMPS.
		This means we will answer questions about them, debug and fix them if
		necessary, and keep them compatible with future changes to LAMMPS.
		</P>
		<P>User packages don't necessarily meet these requirements. If you have
		problems using a feature provided in a user package, you will likely
		need to contact the contributor directly to get help.
		</P>
		<P>We encourage users to submit new features to <A HREF = "http://lammps.sandia.gov/authors.html">the
		developers</A> that they add to
		LAMMPS, especially if you think they will be useful to other users.
		If they are broadly useful and meet the requirements listed above, we
		may add them as core files to LAMMPS or as part of a standard package.
		Else we will add them as a user package.
		</P>
		<P>With user packages, all we are really providing (aside from the fame
		and fortune that accompanies having your name in the source code and
		on the <A HREF = "http://lammps.sandia.gov/authors.html">Authors page</A> of the
		<A HREF = "http://lammps.sandia.gov">LAMMPS WWW site</A>), is a means for you to distribute your work to
		the LAMMPS user community and a mechanism for others to easily try out
		your new feature. This may help you find bugs or make contact with
		new collaborators.
		</P>
		<P><A HREF = "Section_modify.html">This section</A> of the documentation describes how
		to add new features of various kinds to LAMMPS. Packages are simply
		collections of these kinds of new class files which are typically
		invoked as a new "style" within a LAMMPS input script. If designed
		correctly, these additions do not require changes to the main core of
		LAMMPS; they are simply add-on files. If you think your new feature
		requires something else in LAMMPS to change, you'll need to
		<A HREF = "http://lammps.sandia.gov/authors.html">communicate with the
		developers</A>.
		</P>
		<P>Examples of user-contributed packages are in src sub-directories that
		start with USER. We impose only a few minor restrictions on the
		source files you submit. They need to have the LAMMPS copyright, GPL
		notice, and your name at the top. They need to create a class that is
		inside the LAMMPS namespace. You need to provide the Install.csh and
		style*.h files that enable the package to be installed/un-installed.
		See any of the other LAMMPS source or package files for examples.
		Following this pattern will save you and us time when you submit the
		files.
		</P>
		<P>Finally, you also need to include a README file with your package, so
		that other users can get a quick idea of what it does and know how to
		contact you. You also need to include a doc file in text format for
		each of the new styles you are adding, which we will convert to HTML.
		See the doc directory for numerous examples of these *.txt files; you
		should use one of them as a template for the feature you are adding.
		</P>
		<HR>

		<P>Any or all packages can be included or excluded when LAMMPS is built.
		The one exception is that to use the "opt" package, you must also be
		using the "molecule" and "manybody" packages. You may wish to exclude
		certain packages if you will never run certain kinds of simulations.
		This will keep you from having to build auxiliary libraries (see
		below) and will produce a smaller executable which may run a bit
		faster.
		The one exception is that to use the standard "opt" package, you must
		also be using the "molecule" and "manybody" packages. You may wish to
		exclude certain packages if you will never run certain kinds of
		simulations. This will keep you from having to build auxiliary
		libraries (see below) and will produce a smaller executable which may
		run a bit faster.
		</P>
		<P>By default, LAMMPS includes only the "kspace", "manybody", and
		"molecule" packages. As described below, some packages require LAMMPS
		be linked to separately built library files, which will require
		editing of your src/MAKE/Makefile.machine.
		"molecule" packages. As described below, some standard packages
		require LAMMPS be linked to separately built library files, which will
		require editing of your src/MAKE/Makefile.machine.
		</P>
		<P>Packages are included or excluded by typing "make yes-name" or "make
		no-name", where "name" is the name of the package. You can also type
		"make yes-all" or "make no-all" to include/exclude all optional
		packages. These commands work by simply moving files back and forth
		between the main src directory and sub-directories with the package
		name, so that the files are seen or not seen when LAMMPS is built.
		After you have included or excluded a package, you must re-make
		LAMMPS.
		"make yes-standard", "make no-standard", "make yes-user", "make
		no-user", "make yes-all" or "make no-all" to include/exclude various
		sets of packages. These commands work by simply moving files back and
		forth between the main src directory and sub-directories with the
		package name, so that the files are seen or not seen when LAMMPS is
		built. After you have included or excluded a package, you must
		re-build LAMMPS.
		</P>
		<P>Additional make options exist to help manage LAMMPS files that exist
		in both the src directory and in package sub-directories. You do not
		@@ -356,6 +419,8 @@ directory with the appropriate Makefile, e.g. "make -f Makefile.g++".
		If one of the provided Makefiles is not appropriate for your system
		you can edit or add one as needed.
		</P>
		<HR>

		<H4><A NAME = "2_4"></A>2.4 Building LAMMPS as a library
		</H4>
		<P>LAMMPS can be built as a library, which can then be called from

doc/Section_start.txt

+85 −20

Original line number	Diff line number	Diff line
		@@ -259,14 +259,18 @@ build it. In the src/MAKE/Windows directory are some notes from users
		on how they built LAMMPS under Windows, so you can look at their
		instructions for tips. Good luck - we can't help you on this one.

		:line

		2.3 Making LAMMPS with optional packages :h4,link(2_3)

		The source code for LAMMPS is structured as a large set of core files
		that are always used plus additional packages, which are groups of
		files that enable a specific set of features. For example, force
		fields for molecular systems or granular systems are in packages. You
		can see the list of packages by typing "make package". The current
		list of packages is as follows:
		that are always used plus additional optional packages, which are
		groups of files that enable a specific set of features. For example,
		force fields for molecular systems or granular systems are in
		packages. You can see the list of both standard and user-contributed
		packages by typing "make package".

		The current list of standard packages is as follows:

		asphere : aspherical particles and force fields
		class2 : class 2 force fields
		@@ -282,27 +286,86 @@ opt : optimized versions of a few pair potentials
		poems : coupled rigid body motion
		xtc : dump atom snapshots in XTC format :tb(s=:)

		There are also user-contributed packages which may be as simple as a
		single additional file (class) or many files grouped together which
		add a specific functionality to the code. The difference between a
		{standard} package versus a {user} package is as follows.

		Standard packages are supported by the LAMMPS developers and are
		written in a syntax and style consistent with the rest of LAMMPS.
		This means we will answer questions about them, debug and fix them if
		necessary, and keep them compatible with future changes to LAMMPS.

		User packages don't necessarily meet these requirements. If you have
		problems using a feature provided in a user package, you will likely
		need to contact the contributor directly to get help.

		We encourage users to submit new features to "the
		developers"_http://lammps.sandia.gov/authors.html that they add to
		LAMMPS, especially if you think they will be useful to other users.
		If they are broadly useful and meet the requirements listed above, we
		may add them as core files to LAMMPS or as part of a standard package.
		Else we will add them as a user package.

		With user packages, all we are really providing (aside from the fame
		and fortune that accompanies having your name in the source code and
		on the "Authors page"_http://lammps.sandia.gov/authors.html of the
		"LAMMPS WWW site"_lws), is a means for you to distribute your work to
		the LAMMPS user community and a mechanism for others to easily try out
		your new feature. This may help you find bugs or make contact with
		new collaborators.

		"This section"_Section_modify.html of the documentation describes how
		to add new features of various kinds to LAMMPS. Packages are simply
		collections of these kinds of new class files which are typically
		invoked as a new "style" within a LAMMPS input script. If designed
		correctly, these additions do not require changes to the main core of
		LAMMPS; they are simply add-on files. If you think your new feature
		requires something else in LAMMPS to change, you'll need to
		"communicate with the
		developers"_http://lammps.sandia.gov/authors.html.

		Examples of user-contributed packages are in src sub-directories that
		start with USER. We impose only a few minor restrictions on the
		source files you submit. They need to have the LAMMPS copyright, GPL
		notice, and your name at the top. They need to create a class that is
		inside the LAMMPS namespace. You need to provide the Install.csh and
		style*.h files that enable the package to be installed/un-installed.
		See any of the other LAMMPS source or package files for examples.
		Following this pattern will save you and us time when you submit the
		files.

		Finally, you also need to include a README file with your package, so
		that other users can get a quick idea of what it does and know how to
		contact you. You also need to include a doc file in text format for
		each of the new styles you are adding, which we will convert to HTML.
		See the doc directory for numerous examples of these *.txt files; you
		should use one of them as a template for the feature you are adding.

		:line

		Any or all packages can be included or excluded when LAMMPS is built.
		The one exception is that to use the "opt" package, you must also be
		using the "molecule" and "manybody" packages. You may wish to exclude
		certain packages if you will never run certain kinds of simulations.
		This will keep you from having to build auxiliary libraries (see
		below) and will produce a smaller executable which may run a bit
		faster.
		The one exception is that to use the standard "opt" package, you must
		also be using the "molecule" and "manybody" packages. You may wish to
		exclude certain packages if you will never run certain kinds of
		simulations. This will keep you from having to build auxiliary
		libraries (see below) and will produce a smaller executable which may
		run a bit faster.

		By default, LAMMPS includes only the "kspace", "manybody", and
		"molecule" packages. As described below, some packages require LAMMPS
		be linked to separately built library files, which will require
		editing of your src/MAKE/Makefile.machine.
		"molecule" packages. As described below, some standard packages
		require LAMMPS be linked to separately built library files, which will
		require editing of your src/MAKE/Makefile.machine.

		Packages are included or excluded by typing "make yes-name" or "make
		no-name", where "name" is the name of the package. You can also type
		"make yes-all" or "make no-all" to include/exclude all optional
		packages. These commands work by simply moving files back and forth
		between the main src directory and sub-directories with the package
		name, so that the files are seen or not seen when LAMMPS is built.
		After you have included or excluded a package, you must re-make
		LAMMPS.
		"make yes-standard", "make no-standard", "make yes-user", "make
		no-user", "make yes-all" or "make no-all" to include/exclude various
		sets of packages. These commands work by simply moving files back and
		forth between the main src directory and sub-directories with the
		package name, so that the files are seen or not seen when LAMMPS is
		built. After you have included or excluded a package, you must
		re-build LAMMPS.

		Additional make options exist to help manage LAMMPS files that exist
		in both the src directory and in package sub-directories. You do not
		@@ -349,6 +412,8 @@ directory with the appropriate Makefile, e.g. "make -f Makefile.g++".
		If one of the provided Makefiles is not appropriate for your system
		you can edit or add one as needed.

		:line

		2.4 Building LAMMPS as a library :h4,link(2_4)

		LAMMPS can be built as a library, which can then be called from

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