git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13911 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp 2015-08-19 15:38:23 +00:00
parent cd861535f0
commit 06f25e6608
8 changed files with 203 additions and 21 deletions

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@ -509,19 +509,19 @@ KOKKOS, o = USER-OMP, t = OPT.
<TR ALIGN="center"><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/lj (o)</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/morse (o)</A></TD><TD ><A HREF = "pair_kim.html">kim</A></TD><TD ><A HREF = "pair_lcbop.html">lcbop</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_line_lj.html">line/lj (o)</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm (cko)</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit (cko)</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long (cgiko)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/msm</A></TD><TD ><A HREF = "pair_class2.html">lj/class2 (cgko)</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut (cko)</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long (cgko)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut (cgikot)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut (cgko)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye (cgko)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf (gko)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/long (cgikot)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/msm (go)</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/cut (go)</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/long</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/cut (o)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long (ot)</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand (cgko)</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs (cgko)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs (cko)</A></TD><TD ><A HREF = "pair_lj_long.html">lj/long/coul/long (o)</A></TD><TD ><A HREF = "pair_dipole.html">lj/long/dipole/long</A></TD><TD ><A HREF = "pair_lj_long.html">lj/long/tip4p/long</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj_smooth.html">lj/smooth (co)</A></TD><TD ><A HREF = "pair_lj_smooth_linear.html">lj/smooth/linear (o)</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut (cgo)</A></TD><TD ><A HREF = "pair_lubricate.html">lubricate (o)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lubricate.html">lubricate/poly (o)</A></TD><TD ><A HREF = "pair_lubricateU.html">lubricateU</A></TD><TD ><A HREF = "pair_lubricateU.html">lubricateU/poly</A></TD><TD ><A HREF = "pair_meam.html">meam (o)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_mie.html">mie/cut (o)</A></TD><TD ><A HREF = "pair_morse.html">morse (cgot)</A></TD><TD ><A HREF = "pair_nb3b_harmonic.html">nb3b/harmonic (o)</A></TD><TD ><A HREF = "pair_nm.html">nm/cut (o)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_nm.html">nm/cut/coul/cut (o)</A></TD><TD ><A HREF = "pair_nm.html">nm/cut/coul/long (o)</A></TD><TD ><A HREF = "pair_peri.html">peri/eps</A></TD><TD ><A HREF = "pair_peri.html">peri/lps (o)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_peri.html">peri/pmb (o)</A></TD><TD ><A HREF = "pair_peri.html">peri/ves</A></TD><TD ><A HREF = "pair_polymorphic.html">polymorphic</A></TD><TD ><A HREF = "pair_reax.html">reax</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_airebo.html">rebo (o)</A></TD><TD ><A HREF = "pair_resquared.html">resquared (go)</A></TD><TD ><A HREF = "pair_snap.html">snap</A></TD><TD ><A HREF = "pair_soft.html">soft (go)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_sw.html">sw (cgkio)</A></TD><TD ><A HREF = "pair_table.html">table (gko)</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff (cko)</A></TD><TD ><A HREF = "pair_tersoff_mod.html">tersoff/mod (ko)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_tersoff_zbl.html">tersoff/zbl (ko)</A></TD><TD ><A HREF = "pair_coul.html">tip4p/cut (o)</A></TD><TD ><A HREF = "pair_coul.html">tip4p/long (o)</A></TD><TD ><A HREF = "pair_tri_lj.html">tri/lj (o)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_yukawa.html">yukawa (go)</A></TD><TD ><A HREF = "pair_yukawa_colloid.html">yukawa/colloid (go)</A></TD><TD ><A HREF = "pair_zbl.html">zbl (o)</A>
<TR ALIGN="center"><TD ><A HREF = "pair_lj_cubic.html">lj/cubic (go)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut (cgikot)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut (cgko)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye (cgko)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf (gko)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long (cgikot)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/msm (go)</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/cut (go)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/cut (o)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long (ot)</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand (cgko)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_gromacs.html">lj/gromacs (cgko)</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs (cko)</A></TD><TD ><A HREF = "pair_lj_long.html">lj/long/coul/long (o)</A></TD><TD ><A HREF = "pair_dipole.html">lj/long/dipole/long</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj_long.html">lj/long/tip4p/long</A></TD><TD ><A HREF = "pair_lj_smooth.html">lj/smooth (co)</A></TD><TD ><A HREF = "pair_lj_smooth_linear.html">lj/smooth/linear (o)</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut (cgo)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lubricate.html">lubricate (o)</A></TD><TD ><A HREF = "pair_lubricate.html">lubricate/poly (o)</A></TD><TD ><A HREF = "pair_lubricateU.html">lubricateU</A></TD><TD ><A HREF = "pair_lubricateU.html">lubricateU/poly</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_meam.html">meam (o)</A></TD><TD ><A HREF = "pair_mie.html">mie/cut (o)</A></TD><TD ><A HREF = "pair_morse.html">morse (cgot)</A></TD><TD ><A HREF = "pair_nb3b_harmonic.html">nb3b/harmonic (o)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_nm.html">nm/cut (o)</A></TD><TD ><A HREF = "pair_nm.html">nm/cut/coul/cut (o)</A></TD><TD ><A HREF = "pair_nm.html">nm/cut/coul/long (o)</A></TD><TD ><A HREF = "pair_peri.html">peri/eps</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_peri.html">peri/lps (o)</A></TD><TD ><A HREF = "pair_peri.html">peri/pmb (o)</A></TD><TD ><A HREF = "pair_peri.html">peri/ves</A></TD><TD ><A HREF = "pair_polymorphic.html">polymorphic</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_reax.html">reax</A></TD><TD ><A HREF = "pair_airebo.html">rebo (o)</A></TD><TD ><A HREF = "pair_resquared.html">resquared (go)</A></TD><TD ><A HREF = "pair_snap.html">snap</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_soft.html">soft (go)</A></TD><TD ><A HREF = "pair_sw.html">sw (cgkio)</A></TD><TD ><A HREF = "pair_table.html">table (gko)</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff (cgko)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_tersoff_mod.html">tersoff/mod (ko)</A></TD><TD ><A HREF = "pair_tersoff_zbl.html">tersoff/zbl (ko)</A></TD><TD ><A HREF = "pair_coul.html">tip4p/cut (o)</A></TD><TD ><A HREF = "pair_coul.html">tip4p/long (o)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_tri_lj.html">tri/lj (o)</A></TD><TD ><A HREF = "pair_yukawa.html">yukawa (go)</A></TD><TD ><A HREF = "pair_yukawa_colloid.html">yukawa/colloid (go)</A></TD><TD ><A HREF = "pair_zbl.html">zbl (go)</A>
</TD></TR></TABLE></DIV>
<P>These are additional pair styles in USER packages, which can be used

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@ -272,9 +272,17 @@ within the LAMMPS code. The options that are currently recogized are:
</UL>
<P>The read_data and dump commands will read/write gzipped files if you
compile with -DLAMMPS_GZIP. It requires that your machine supports
the "popen" function in the standard runtime library and that a gzip
the "popen()" function in the standard runtime library and that a gzip
executable can be found by LAMMPS during a run.
</P>
<P>IMPORTANT NOTE: on some clusters with high-speed networks, using the
fork() library calls (required by popen()) can interfere with the fast
communication library and lead to simulations using compressed output
or input to hang or crash. For selected operations, compressed file
I/O is also available using a compression library instead, which are
provided in the COMPRESS package. From more details about compiling
LAMMPS with packages, please see below.
</P>
<P>If you use -DLAMMPS_JPEG, the <A HREF = "dump_image.html">dump image</A> command
will be able to write out JPEG image files. For JPEG files, you must
also link LAMMPS with a JPEG library, as described below. If you use
@ -290,6 +298,9 @@ the need to store intermediate image files. It requires that your
machines supports the "popen" function in the standard runtime library
and that an FFmpeg executable can be found by LAMMPS during the run.
</P>
<P>IMPORTANT NOTE: Similar to the note above, this option can conflict
with high-speed networks, because it uses popen().
</P>
<P>Using -DLAMMPS_MEMALIGN=<bytes> enables the use of the
posix_memalign() call instead of malloc() when large chunks or memory
are allocated by LAMMPS. This can help to make more efficient use of

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@ -11,6 +11,8 @@
<H3>dump command
</H3>
<H3><A HREF = "dump_h5md.html">dump h5md</A> command
</H3>
<H3><A HREF = "dump_image.html">dump image</A> command
</H3>
<H3><A HREF = "dump_image.html">dump movie</A> command
@ -25,7 +27,7 @@
<LI>group-ID = ID of the group of atoms to be dumped
<LI>style = <I>atom</I> or <I>atom/mpiio</I> or <I>cfg</I> or <I>cfg/mpiio</I> or <I>dcd</I> or <I>xtc</I> or <I>xyz</I> or <I>xyz/mpiio</I> or <I>image</I> or <I>movie</I> or <I>molfile</I> or <I>local</I> or <I>custom</I> or <I>custom/mpiio</I>
<LI>style = <I>atom</I> or <I>atom/gz</I> or <I>atom/mpiio</I> or <I>cfg</I> or <I>cfg/gz</I> or <I>cfg/mpiio</I> or <I>dcd</I> or <I>xtc</I> or <I>xyz</I> or <I>xyz/gz</I> or <I>xyz/mpiio</I> or <I>h5md</I> or <I>image</I> or <I>movie</I> or <I>molfile</I> or <I>local</I> or <I>custom</I> or <I>custom/gz</I> or <I>custom/mpiio</I>
<LI>N = dump every this many timesteps
@ -34,15 +36,21 @@
<LI>args = list of arguments for a particular style
<PRE> <I>atom</I> args = none
<I>atom/gz</I> args = none
<I>atom/mpiio</I> args = none
<I>cfg</I> args = same as <I>custom</I> args, see below
<I>cfg/gz</I> args = same as <I>custom</I> args, see below
<I>cfg/mpiio</I> args = same as <I>custom</I> args, see below
<I>dcd</I> args = none
<I>xtc</I> args = none
<I>xyz</I> args = none
</PRE>
<PRE> <I>xyz/gz</I> args = none
</PRE>
<PRE> <I>xyz/mpiio</I> args = none
</PRE>
<PRE> <I>h5md</I> args = discussed on <A HREF = "dump_h5md.html">dump h5md</A> doc page
</PRE>
<PRE> <I>image</I> args = discussed on <A HREF = "dump_image.html">dump image</A> doc page
</PRE>
<PRE> <I>movie</I> args = discussed on <A HREF = "dump_image.html">dump image</A> doc page
@ -57,7 +65,7 @@
f_ID = local vector calculated by a fix with ID
f_ID[N] = Nth column of local array calculated by a fix with ID
</PRE>
<PRE> <I>custom</I> or <I>custom/mpiio</I> args = list of atom attributes
<PRE> <I>custom</I> or <I>custom/gz</I> or <I>custom/mpiio</I> args = list of atom attributes
possible attributes = id, mol, proc, procp1, type, element, mass,
x, y, z, xs, ys, zs, xu, yu, zu,
xsu, ysu, zsu, ix, iy, iz,
@ -102,6 +110,7 @@
</P>
<PRE>dump myDump all atom 100 dump.atom
dump myDump all atom/mpiio 100 dump.atom.mpiio
dump myDump all atom/gz 100 dump.atom.gz
dump 2 subgroup atom 50 dump.run.bin
dump 2 subgroup atom 50 dump.run.mpiio.bin
dump 4a all custom 100 dump.myforce.* id type x y vx fx
@ -150,6 +159,17 @@ default. For the <I>dcd</I>, <I>xtc</I>, <I>xyz</I>, and <I>molfile</I> styles,
atom ID is on by default. See the <A HREF = "dump_modify.html">dump_modify</A> doc
page for details.
</P>
<P>The <I>atom/gz</I>, <I>cfg/gz</I>, <I>custom/gz</I>, and <I>xyz/gz</I> styles are identical
in command syntax to the corresponding styles without "gz", however,
they generate compressed files using the zlib library. Thus the filename
suffix ".gz" is mandatory. This is an alternative approach to writing
compressed files via a pipe, as done by the regular dump styles, which
may be required on clusters where the interface to the high-speed network
disallows using the fork() library call (which is needed for a pipe).
For the remainder of this doc page, you should thus consider the <I>atom</I>
and <I>atom/gz</I> styles (etc) to be inter-changeable, with the exception
of the required filename suffix.
</P>
<P>As explained below, the <I>atom/mpiio</I>, <I>cfg/mpiio</I>, <I>custom/mpiio</I>, and
<I>xyz/mpiio</I> styles are identical in command syntax and in the format
of the dump files they create, to the corresponding styles without
@ -583,9 +603,15 @@ per-atom quantities which could then be output into dump files.
<P><B>Restrictions:</B>
</P>
<P>To write gzipped dump files, you must compile LAMMPS with the
-DLAMMPS_GZIP option - see the <A HREF = "Section_start.html#start_2">Making
LAMMPS</A> section of the documentation.
<P>To write gzipped dump files, you must either compile LAMMPS with the
-DLAMMPS_GZIP option or use the styles from the COMPRESS package
- see the <A HREF = "Section_start.html#start_2">Making LAMMPS</A> section of
the documentation.
</P>
<P>The <I>atom/gz</I>, <I>cfg/gz</I>, <I>custom/gz</I>, and <I>xyz/gz</I> styles are part
of the COMPRESS package. They are 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.
</P>
<P>The <I>atom/mpiio</I>, <I>cfg/mpiio</I>, <I>custom/mpiio</I>, and <I>xyz/mpiio</I> styles
are part of the MPIIO package. They are only enabled if LAMMPS was
@ -611,7 +637,8 @@ machines.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "dump_image.html">dump image</A>, <A HREF = "dump_modify.html">dump_modify</A>,
<P><A HREF = "dump_h5md.html">dump h5md</A>, <A HREF = "dump_image.html">dump image</A>,
<A HREF = "dump_molfile.html">dump molfile</A>, <A HREF = "dump_modify.html">dump_modify</A>,
<A HREF = "undump.html">undump</A>
</P>
<P><B>Default:</B>

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doc/doc2/dump_h5md.html Normal file
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@ -0,0 +1,136 @@
<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>dump h5md command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>dump ID group-ID h5md N file.h5 args
</PRE>
<UL><LI>ID = user-assigned name for the dump
<LI>group-ID = ID of the group of atoms to be imaged
<LI>h5md = style of dump command (other styles <I>atom</I> or <I>cfg</I> or <I>dcd</I> or <I>xtc</I> or <I>xyz</I> or <I>local</I> or <I>custom</I> are discussed on the <A HREF = "dump.html">dump</A> doc page)
<LI>N = dump every this many timesteps
<LI>file.h5 = name of file to write to
<LI>args = list of data elements to dump, with their dump "subintervals".
At least one element must be given and image may only be present if
position is specified first.
<PRE> position options
image
velocity options
force options
species options
file_from ID: do not open a new file, re-use the already opened file from dump ID
box value = <I>yes</I> or <I>no</I>
create_group value = <I>yes</I> or <I>no</I>
author value = quoted string
</PRE>
<P>For the elements <I>position</I>, <I>velocity</I>, <I>force</I> and <I>species</I>, one
may specify a sub-interval to write the data only every N_element
iterations of the dump (i.e. every N*N_element time steps). This is
specified by the option
</P>
<PRE> every N_element
</PRE>
<P>that follows directly the element declaration.
</P>
</UL>
<P><B>Examples:</B>
</P>
<PRE>dump h5md1 all h5md 100 dump_h5md.h5 position image
dump h5md1 all h5md 100 dump_h5md.h5 position velocity every 10
dump h5md1 all h5md 100 dump_h5md.h5 velocity author "John Doe"
</PRE>
<P><B>Description:</B>
</P>
<P>Dump a snapshot of atom coordinates every N timesteps in the
<A HREF = "http://www.hdfgroup.org/HDF5/">HDF5</A> based <A HREF = "http://nongnu.org/h5md/">H5MD</A> file format <A HREF = "#h5md_cpc">(de Buyl)</A>.
HDF5 files are binary, portable and self-describing. This dump style
will write only one file, on the root node.
</P>
<P>Several dumps may write to the same file, by using file_from and
referring to a previously defined dump. Several groups may also be
stored within the same file by defining several dumps. A dump that
refers (via <I>file_from</I>) to an already open dump ID and that concerns
another particle group must specify <I>create_group yes</I>.
</P>
<P>Each data element is written every N*N_element steps. For <I>image</I>, no
subinterval is needed as it must be present at the same interval as
<I>position</I>. <I>image</I> must be given after <I>position</I> in any case. The
box information (edges in each dimension) is stored at the same
interval than the <I>position</I> element, if present. Else it is stored
every N steps.
</P>
<P>IMPORTANT NOTE: Because periodic boundary conditions are enforced only
on timesteps when neighbor lists are rebuilt, the coordinates of an
atom written to a dump file may be slightly outside the simulation
box.
</P>
<P><B>Use from write_dump:</B>
</P>
<P>It is possible to use this dump style with the
<A HREF = "write_dump.html">write_dump</A> command. In this case, the subintervals
must not be set at all. The write_dump command can be used either to
create a new file or to add current data to an existing dump file by
using the <I>file_from</I> keyword.
</P>
<P>Typically, the <I>species</I> data is fixed. The following two commands
store the position data every 100 timesteps, with the image data, and
store once the species data in the same file.
</P>
<PRE>dump h5md1 all h5md 100 dump.h5 position image
write_dump all h5md dump.h5 file_from h5md1 species
</PRE>
<HR>
<P><B>Restrictions:</B>
</P>
<P>The number of atoms per snapshot cannot change with the h5md style.
The position data is stored wrapped (box boundaries not enforced, see
note above). Only orthogonal domains are currently supported. This is
a limitation of the present dump h5md command and not of H5MD itself.
</P>
<P>The <I>h5md</I> dump style is part of the USER-H5MD package. It is 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. It also
requires (i) building the ch5md library provided with LAMMPS (See the
<A HREF = "Section_start.html#start_3">Making LAMMPS</A> section for more info.) and
(ii) having the <A HREF = "http://www.hdfgroup.org/HDF5/">HDF5</A> library installed (C bindings are
sufficient) on your system. The library ch5md is compiled with the
h5cc wrapper provided by the HDF5 library.
</P>
<HR>
<P><B>Related commands:</B>
</P>
<P><A HREF = "dump.html">dump</A>, <A HREF = "dump_modify.html">dump_modify</A>, <A HREF = "undump.html">undump</A>
</P>
<HR>
<A NAME = "h5md_cpc"></A>
<P><B>(de Buyl)</B> de Buyl, Colberg and Hofling, H5MD: A structured,
efficient, and portable file format for molecular data,
Comp. Phys. Comm. 185(6), 1546-1553 (2014) -
<A HREF = "http://arxiv.org/abs/1308.6382/">[arXiv:1308.6382]</A>.
</P>
</HTML>

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@ -56,6 +56,8 @@
Nthreads = # of GPU threads used per atom
<I>device</I> value = device_type
device_type = <I>kepler</I> or <I>fermi</I> or <I>cypress</I> or <I>generic</I>
<I>blocksize</I> value = size
size = thread block size for pair force computation
<I>intel</I> args = NPhi keyword value ...
Nphi = # of coprocessors per node
zero or more keyword/value pairs may be appended

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@ -11,6 +11,8 @@
<H3>pair_style lj/cubic command
</H3>
<H3>pair_style lj/cubic/gpu command
</H3>
<H3>pair_style lj/cubic/omp command
</H3>
<P><B>Syntax:</B>

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@ -15,6 +15,8 @@
</H3>
<H3>pair_style tersoff/cuda
</H3>
<H3>pair_style tersoff/gpu
</H3>
<H3>pair_style tersoff/kk
</H3>
<H3>pair_style tersoff/omp
@ -25,7 +27,7 @@
</P>
<PRE>pair_style style
</PRE>
<P>style = <I>tersoff</I> or <I>tersoff/table</I> or <I>tersoff/cuda</I> or <I>tersoff/omp</I> or <I>tersoff/table/omp</I>
<P>style = <I>tersoff</I> or <I>tersoff/table</I> or <I>tersoff/cuda</I> or <I>tersoff/gpu</I> or <I>tersoff/omp</I> or <I>tersoff/table/omp</I>
</P>
<P><B>Examples:</B>
</P>

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@ -11,6 +11,8 @@
<H3>pair_style zbl command
</H3>
<H3>pair_style zbl/gpu command
</H3>
<H3>pair_style zbl/omp command
</H3>
<P><B>Syntax:</B>