<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>

<TR><TD >CLASS2 </TD><TD > class 2 force fields</TD></TR>

<TR><TD >COLLOID </TD><TD > colloidal particle force fields</TD></TR>

<TR><TD >DIPOLE </TD><TD > point dipole particles and force fields</TD></TR>

<TR><TD >GPU </TD><TD > GPU-enabled force field styles</TD></TR>

<TR><TD >GRANULAR </TD><TD > force fields and boundary conditions for granular systems</TD></TR>

<TR><TD >KSPACE </TD><TD > long-range Ewald and particle-mesh (PPPM) solvers</TD></TR>

<TR><TD >MANYBODY </TD><TD > metal, 3-body, bond-order potentials</TD></TR>

<TR><TD >MEAM </TD><TD > modified embedded atom method (MEAM) potential</TD></TR>

<TR><TD >MC </TD><TD > Monte Carlo options</TD></TR>

<TR><TD >MOLECULE </TD><TD > force fields for molecular systems</TD></TR>

<TR><TD >OPT </TD><TD > optimized versions of a few pair potentials</TD></TR>

<TR><TD >PERI </TD><TD > Peridynamics model and potential</TD></TR>

<TR><TD >POEMS </TD><TD > coupled rigid body motion</TD></TR>

<TR><TD >REAX </TD><TD > ReaxFF potential</TD></TR>

<TR><TD >REPLICA </TD><TD > multi-replica methods</TD></TR>

<TR><TD >SHOCK </TD><TD > methods for MD simulations of shock loading</TD></TR>

<TR><TD >SRD </TD><TD > stochastic rotation dynamics (SRD)</TD></TR>

<TR><TD >XTC </TD><TD > dump atom snapshots in XTC format</TD></TR>

<TR><TD >

<TR ALIGN="center"><TD >Package</TD><TD > Description</TD><TD > Author(s)</TD><TD > Doc page</TD><TD > Example</TD><TD > Library</TD></TR>

<TR ALIGN="center"><TD >ASPHERE</TD><TD > aspherical particles</TD><TD > -</TD><TD > <A HREF = "Section_howto.html#howto_14">howto</A></TD><TD > ellipse</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >CLASS2</TD><TD > class 2 force fields</TD><TD > -</TD><TD > <A HREF = "pair_class2.html">pair_style lj/class2</A></TD><TD > -</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >COLLOID</TD><TD > colloidal particles</TD><TD > -</TD><TD > <A HREF = "atom_style.html">atom_style colloid</A></TD><TD > colloid</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >DIPOLE</TD><TD > point dipole particles</TD><TD > -</TD><TD > <A HREF = "pair_dipole.html">pair_style dipole/cut</A></TD><TD > dipole</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >GPU</TD><TD > GPU-enabled potentials</TD><TD > Mike Brown (ORNL)</TD><TD > <A HREF = "Section_accelerate.html#acc_3">accelerate</A></TD><TD > gpu</TD><TD > lib/gpu</TD></TR>

<TR ALIGN="center"><TD >GRANULAR</TD><TD > granular systems</TD><TD > -</TD><TD > <A HREF = "Section_howto.html#howto_6">howto</A></TD><TD > pour</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >KSPACE</TD><TD > long-range Coulombic solvers</TD><TD > -</TD><TD > <A HREF = "kspace_style.html">kspace_style</A></TD><TD > peptide</TD><TD > fft</TD></TR>

<TR ALIGN="center"><TD >MANYBODY</TD><TD > many-body potentials</TD><TD > -</TD><TD > <A HREF = "pair_tersoff.html">pair_style tersoff</A></TD><TD > shear</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >MEAM</TD><TD > modified EAM potential</TD><TD > Greg Wagner (Sandia)</TD><TD > <A HREF = "pair_meam.html">pair_style meam</A></TD><TD > meam</TD><TD > lib/meam</TD></TR>

<TR ALIGN="center"><TD >MC</TD><TD > Monte Carlo options</TD><TD > -</TD><TD > <A HREF = "fix_gcmc.html">fix gcmc</A></TD><TD > -</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >MOLECULE</TD><TD > molecular system force fields</TD><TD > -</TD><TD > <A HREF = "Section_howto.html#howto_3">howto</A></TD><TD > peptide</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >OPT</TD><TD > optimized pair potentials</TD><TD > Fischer & Richie & Natoli (1)</TD><TD > <A HREF = "Section_accelerate.html#acc_1">howto</A></TD><TD > -</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >PERI</TD><TD > Peridynamics models</TD><TD > Mike Parks (Sandia)</TD><TD > <A HREF = "pair_peri.html">pair_style peri</A></TD><TD > peri</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >POEMS</TD><TD > coupled rigid body motion</TD><TD > Rudra Mukherjee (JPL)</TD><TD > <A HREF = "fix_poems.html">fix poems</A></TD><TD > rigid</TD><TD > lib/poems</TD></TR>

<TR ALIGN="center"><TD >REAX</TD><TD > ReaxFF potential</TD><TD > Aidan Thompson (Sandia)</TD><TD > <A HREF = "pair_reax.html">pair_style reax</A></TD><TD > reax</TD><TD >  lib/reax</TD></TR>

<TR ALIGN="center"><TD >REPLICA</TD><TD > multi-replica methods</TD><TD > -</TD><TD > <A HREF = "Section_howto.html#howto_5">howto</A></TD><TD > tad</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >SHOCK</TD><TD > shock loading methods</TD><TD > -</TD><TD > <A HREF = "fix_msst.html">fix msst</A></TD><TD > -</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >SRD</TD><TD > stochastic rotation dynamics</TD><TD > -</TD><TD > <A HREF = "fix_srd.html">fix srd</A></TD><TD > srd</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >XTC</TD><TD > dumps in XTC format</TD><TD > -</TD><TD > <A HREF = "dump.html">dump</A></TD><TD > -</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >

</TD></TR></TABLE></DIV>

<P>The "Authors" column lists a name(s) if a specific person is

responible for creating and maintaining the package.

</P>

<P>(1) The OPT package was created by James Fischer (High Performance

Technologies), David Richie, and Vincent Natoli (Stone Ridge

Technolgy).

</P>

<P>The "Doc page" column links to either a portion of the

<A HREF = "Section_howto.html">Section_howto</A> of the manual, or an input script

command implemented as part of the package.

</P>

<P>The "Example" column is a sub-directory in the examples directory of

the distribution which has an input script that uses the package.

E.g. "peptide" refers to the examples/peptide directory.

</P>

<P>The "Library" column lists an external library which must be built

first and which LAMMPS links to when it is built.  These are in the

lib directory of the distribution, except for "fft" which means LAMMPS

must be built with an external 1d FFT library, such as

<A HREF = "http://www.fftw.org">FFTW</A>.  <A HREF = "Section_start.html#start_3_3">This

section</A> of the manual gives details on

the 2-step build process with external libraries.

</P>

<HR>

<HR>

<H4><A NAME = "pkg_2"></A>4.2 User packages 

</H4>

<P>NOTE: More details need to be added to this section

</P>

<P>brief paragraph description, author, email, links

to pics/movies page

</P>

<P>The current list of user-contributed packages is as follows:

</P>

<DIV ALIGN=center><TABLE  BORDER=1 >

<TR><TD >USER-MISC </TD><TD > collection of individual style files</TD></TR>

<TR><TD >USER-ATC </TD><TD > AtC atom-to-continuum package</TD></TR>

<TR><TD >USER-AWPMD </TD><TD > wave-packet MD</TD></TR>

<TR><TD >USER-CG-CMM </TD><TD > coarse-graining</TD></TR>

<TR><TD >USER-CUDA </TD><TD > NVIDIA GPU styles</TD></TR>

<TR><TD >USER-EFF </TD><TD > eFF electron force field</TD></TR>

<TR><TD >USER-EWALDN </TD><TD > enhanced Ewald</TD></TR>

<TR><TD >USER-REAXC </TD><TD > C-version of ReaxFF</TD></TR>

<TR><TD >

<TR ALIGN="center"><TD >Package</TD><TD > Description</TD><TD > Authors</TD><TD > Doc page</TD><TD > Example</TD><TD > Pic/movie</TD><TD > Library</TD></TR>

<TR ALIGN="center"><TD >USER-MISC</TD><TD > single-file contributions</TD><TD > USER-MISC/README</TD><TD > -</TD><TD > -</TD><TD > -</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >USER-ATC</TD><TD > atom-to-continuum coupling</TD><TD > Jones & Zimmerman & Templeton (2)</TD><TD > <A HREF = "fix_atc.html">fix atc</A> & USER/atc</TD><TD > USER/atc</TD><TD > <A HREF = "http://lammps.sandia.gov/pictures.html#atc">atc</A></TD><TD > lib/atc</TD></TR>

<TR ALIGN="center"><TD >USER-AWPMD</TD><TD > wave-packet MD</TD><TD > Ilya Valuev (JIHT)</TD><TD > <A HREF = "pair_awpmd.html">pair_style awpmd/cut</A></TD><TD > USER/awpmd</TD><TD > -</TD><TD > lib/awpmd</TD></TR>

<TR ALIGN="center"><TD >USER-CG-CMM</TD><TD > coarse-graining model</TD><TD > Axel Kohlmeyer (Temple U)</TD><TD > <A HREF = "pair_cmm.html">pair_style cg/cmm</A></TD><TD > USER/cg-cmm</TD><TD > <A HREF = "http://lammps.sandia.gov/pictures.html#cg">cg</A></TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >USER-CUDA</TD><TD > NVIDIA GPU styles</TD><TD > Christian Trott (U Tech Ilmenau)</TD><TD > <A HREF = "Section_accelerate.html#acc_4">accelerate</A></TD><TD > USER/cuda</TD><TD > -</TD><TD > lib/cuda</TD></TR>

<TR ALIGN="center"><TD >USER-EFF</TD><TD > electron force field</TD><TD > Andres Jaramillo-Botero (Caltech)</TD><TD > <A HREF = "pair_eff.html">pair_style eff/cut</A></TD><TD > USER/eff</TD><TD > <A HREF = "http://lammps.sandia.gov/movies.html#eff">eff</A></TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >USER-EWALDN</TD><TD > Ewald for 1/R^n</TD><TD > Pieter in' t Veld (BASF)</TD><TD > <A HREF = "kspace_style.html">kspace_style</A></TD><TD > -</TD><TD > -</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >USER-REAXC</TD><TD > C version of ReaxFF</TD><TD > Metin Aktulga (LBNL)</TD><TD > <A HREF = "pair_reax_c.html">pair_style reaxc</A></TD><TD > reax</TD><TD > -</TD><TD > -</TD></TR>

<TR ALIGN="center"><TD >

</TD></TR></TABLE></DIV>

<P>The "Authors" column lists a name(s) if a specific person is

responible for creating and maintaining the package.

</P>

<P>(2) The ATC package was created by Reese Jones, Jon Zimmerman, and

Jeremy Templeton (Sandia).

</P>

<P>The "Doc page" column links to either a portion of the

<A HREF = "Section_howto.html">Section_howto</A> of the manual, or an input script

command implemented as part of the package.  In some cases, additional

documentation is in a sub-directory of doc/USER, e.g. doc/USER/atc.

</P>

<P>The "Example" column is a sub-directory in the examples directory of

the distribution which has an input script that uses the package.

E.g. "peptide" refers to the examples/peptide directory.  USER/cuda

refers to the examples/USER/cuda directory.

</P>

<P>The "Library" column lists an external library which must be built

first and which LAMMPS links to when it is built.  These are in the

lib directory of the distribution.  <A HREF = "Section_start.html#start_3_3">This

section</A> of the manual gives details on

the 2-step build process with external libraries.

</P>

<P>More details on each package, from the USER-blah/README file

is given below.

</P>

<HR>

<H4>USER-MISC package 

</H4>

<HR>

<H4>USER-ATC package 

</H4>

<HR>

<H4>USER-AWPMD package 

</H4>

<HR>

<H4>USER-CG-CMM package 

</H4>

<HR>

<H4>USER-CUDA package 

</H4>

<HR>

<H4>USER-EFF package 

</H4>

<HR>

<H4>USER-EWALDN package 

</H4>

<HR>

<H4>USER-REAXC package 

</H4>

</HTML>

The current list of standard packages is as follows:

ASPHERE : aspherical particles and force fields

CLASS2 : class 2 force fields

COLLOID : colloidal particle force fields

DIPOLE : point dipole particles and force fields

GPU : GPU-enabled force field styles

GRANULAR : force fields and boundary conditions for granular systems

KSPACE : long-range Ewald and particle-mesh (PPPM) solvers

MANYBODY : metal, 3-body, bond-order potentials

MEAM : modified embedded atom method (MEAM) potential

MC : Monte Carlo options

MOLECULE : force fields for molecular systems

OPT : optimized versions of a few pair potentials

PERI : Peridynamics model and potential

POEMS : coupled rigid body motion

REAX : ReaxFF potential

REPLICA : multi-replica methods

SHOCK : methods for MD simulations of shock loading

SRD : stochastic rotation dynamics (SRD)

XTC : dump atom snapshots in XTC format

:tb(s=:)

Package, Description, Author(s), Doc page, Example, Library

ASPHERE, aspherical particles, -, "howto"_Section_howto.html#howto_14, ellipse, -

CLASS2, class 2 force fields, -, "pair_style lj/class2"_pair_class2.html, -, -

COLLOID, colloidal particles, -, "atom_style colloid"_atom_style.html, colloid, -

DIPOLE, point dipole particles, -, "pair_style dipole/cut"_pair_dipole.html, dipole, -

GPU, GPU-enabled potentials, Mike Brown (ORNL), "accelerate"_Section_accelerate.html#acc_3, gpu, lib/gpu

GRANULAR, granular systems, -, "howto"_Section_howto.html#howto_6, pour, -

KSPACE, long-range Coulombic solvers, -, "kspace_style"_kspace_style.html, peptide, fft

MANYBODY, many-body potentials, -, "pair_style tersoff"_pair_tersoff.html, shear, -

MEAM, modified EAM potential, Greg Wagner (Sandia), "pair_style meam"_pair_meam.html, meam, lib/meam

MC, Monte Carlo options, -, "fix gcmc"_fix_gcmc.html, -, -

MOLECULE, molecular system force fields, -, "howto"_Section_howto.html#howto_3, peptide, -

OPT, optimized pair potentials, Fischer & Richie & Natoli (1), "howto"_Section_accelerate.html#acc_1, -, -

PERI, Peridynamics models, Mike Parks (Sandia), "pair_style peri"_pair_peri.html, peri, -

POEMS, coupled rigid body motion, Rudra Mukherjee (JPL), "fix poems"_fix_poems.html, rigid, lib/poems

REAX, ReaxFF potential, Aidan Thompson (Sandia), "pair_style reax"_pair_reax.html, reax,  lib/reax

REPLICA, multi-replica methods, -, "howto"_Section_howto.html#howto_5, tad, -

SHOCK, shock loading methods, -, "fix msst"_fix_msst.html, -, -

SRD, stochastic rotation dynamics, -, "fix srd"_fix_srd.html, srd, -

XTC, dumps in XTC format, -, "dump"_dump.html, -, -

:tb(ea=c)

The "Authors" column lists a name(s) if a specific person is

responible for creating and maintaining the package.

(1) The OPT package was created by James Fischer (High Performance

Technologies), David Richie, and Vincent Natoli (Stone Ridge

Technolgy).

The "Doc page" column links to either a portion of the

"Section_howto"_Section_howto.html of the manual, or an input script

command implemented as part of the package.

The "Example" column is a sub-directory in the examples directory of

the distribution which has an input script that uses the package.

E.g. "peptide" refers to the examples/peptide directory.

The "Library" column lists an external library which must be built

first and which LAMMPS links to when it is built.  These are in the

lib directory of the distribution, except for "fft" which means LAMMPS

must be built with an external 1d FFT library, such as

"FFTW"_http://www.fftw.org.  "This

section"_Section_start.html#start_3_3 of the manual gives details on

the 2-step build process with external libraries.

:line

:line

4.2 User packages :h4,link(pkg_2)

NOTE: More details need to be added to this section

The current list of user-contributed packages is as follows:

brief paragraph description, author, email, links

to pics/movies page

Package, Description, Authors, Doc page, Example, Pic/movie, Library

USER-MISC, single-file contributions, USER-MISC/README, -, -, -, -

USER-ATC, atom-to-continuum coupling, Jones & Zimmerman & Templeton (2), "fix atc"_fix_atc.html & USER/atc, USER/atc, "atc"_atc, lib/atc

USER-AWPMD, wave-packet MD, Ilya Valuev (JIHT), "pair_style awpmd/cut"_pair_awpmd.html, USER/awpmd, -, lib/awpmd

USER-CG-CMM, coarse-graining model, Axel Kohlmeyer (Temple U), "pair_style cg/cmm"_pair_cmm.html, USER/cg-cmm, "cg"_cg, -

USER-CUDA, NVIDIA GPU styles, Christian Trott (U Tech Ilmenau), "accelerate"_Section_accelerate.html#acc_4, USER/cuda, -, lib/cuda

USER-EFF, electron force field, Andres Jaramillo-Botero (Caltech), "pair_style eff/cut"_pair_eff.html, USER/eff, "eff"_eff, -

USER-EWALDN, Ewald for 1/R^n, Pieter in' t Veld (BASF), "kspace_style"_kspace_style.html, -, -, -

USER-REAXC, C version of ReaxFF, Metin Aktulga (LBNL), "pair_style reaxc"_pair_reax_c.html, reax, -, -

:tb(ea=c)

:link(atc,http://lammps.sandia.gov/pictures.html#atc)

:link(cg,http://lammps.sandia.gov/pictures.html#cg)

:link(eff,http://lammps.sandia.gov/movies.html#eff)

The "Authors" column lists a name(s) if a specific person is

responible for creating and maintaining the package.

(2) The ATC package was created by Reese Jones, Jon Zimmerman, and

Jeremy Templeton (Sandia).

The "Doc page" column links to either a portion of the

"Section_howto"_Section_howto.html of the manual, or an input script

command implemented as part of the package.  In some cases, additional

documentation is in a sub-directory of doc/USER, e.g. doc/USER/atc.

The "Example" column is a sub-directory in the examples directory of

the distribution which has an input script that uses the package.

E.g. "peptide" refers to the examples/peptide directory.  USER/cuda

refers to the examples/USER/cuda directory.

The "Library" column lists an external library which must be built

first and which LAMMPS links to when it is built.  These are in the

lib directory of the distribution.  "This

section"_Section_start.html#start_3_3 of the manual gives details on

the 2-step build process with external libraries.

More details on each package, from the USER-blah/README file

is given below.

The current list of user-contributed packages is as follows:

:line

USER-MISC package :h4

:line

USER-ATC package :h4

:line

USER-AWPMD package :h4

:line

USER-CG-CMM package :h4

:line

USER-CUDA package :h4

:line

USER-EFF package :h4

:line

USER-EWALDN package :h4

:line

USER-REAXC package :h4

USER-MISC : collection of individual style files

USER-ATC : AtC atom-to-continuum package

USER-AWPMD : wave-packet MD

USER-CG-CMM : coarse-graining

USER-CUDA : NVIDIA GPU styles

USER-EFF : eFF electron force field

USER-EWALDN : enhanced Ewald

USER-REAXC : C-version of ReaxFF

:tb(s=:)