git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10906 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-10-30 15:41:56 +00:00
parent a886c8450a
commit 15b7374ff0
12 changed files with 204 additions and 42 deletions

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@ -514,39 +514,41 @@ package</A>.
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<TR ALIGN="center"><TD ><A HREF = "pair_sw.html">sw/gpu</A></TD><TD ><A HREF = "pair_sw.html">sw/omp</A></TD><TD ><A HREF = "pair_table.html">table/gpu</A></TD><TD ><A HREF = "pair_table.html">table/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_tersoff.html">tersoff/cuda</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff/omp</A></TD><TD ><A HREF = "pair_tersoff_mod.html">tersoff/mod/omp</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff/table/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_tersoff_zbl.html">tersoff/zbl/omp</A></TD><TD ><A HREF = "pair_coul.html">tip4p/cut/omp</A></TD><TD ><A HREF = "pair_coul.html">tip4p/long/omp</A></TD><TD ><A HREF = "pair_tri_lj.html">tri/lj/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_yukawa.html">yukawa/gpu</A></TD><TD ><A HREF = "pair_yukawa.html">yukawa/omp</A></TD><TD ><A HREF = "pair_yukawa_colloid.html">yukawa/colloid/gpu</A></TD><TD ><A HREF = "pair_yukawa_colloid.html">yukawa/colloid/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_zbl.html">zbl/omp</A>
</TD></TR></TABLE></DIV>
<HR>

View File

@ -860,6 +860,7 @@ package"_Section_accelerate.html.
"coul/cut/omp"_pair_coul.html,
"coul/debye/omp"_pair_coul.html,
"coul/dsf/gpu"_pair_coul.html,
"coul/dsf/omp"_pair_coul.html,
"coul/long/gpu"_pair_coul.html,
"coul/long/omp"_pair_coul.html,
"coul/msm/omp"_pair_coul.html,
@ -917,6 +918,7 @@ package"_Section_accelerate.html.
"lj/cut/coul/debye/gpu"_pair_lj.html,
"lj/cut/coul/debye/omp"_pair_lj.html,
"lj/cut/coul/dsf/gpu"_pair_lj.html,
"lj/cut/coul/dsf/omp"_pair_lj.html,
"lj/cut/coul/long/cuda"_pair_lj.html,
"lj/cut/coul/long/gpu"_pair_lj.html,
"lj/cut/coul/long/omp"_pair_lj.html,
@ -964,6 +966,9 @@ package"_Section_accelerate.html.
"morse/omp"_pair_morse.html,
"morse/opt"_pair_morse.html,
"nb3b/harmonic/omp"_pair_nb3b_harmonic.html,
"nm/cut/omp"_pair_nm.html,
"nm/cut/coul/cut/omp"_pair_nm.html,
"nm/cut/coul/long/omp"_pair_nm.html,
"peri/lps/omp"_pair_peri.html,
"peri/pmb/omp"_pair_peri.html,
"rebo/omp"_pair_airebo.html,
@ -978,6 +983,7 @@ package"_Section_accelerate.html.
"table/omp"_pair_table.html,
"tersoff/cuda"_pair_tersoff.html,
"tersoff/omp"_pair_tersoff.html,
"tersoff/mod/omp"_pair_tersoff_mod.html,
"tersoff/table/omp"_pair_tersoff.html,
"tersoff/zbl/omp"_pair_tersoff_zbl.html,
"tip4p/cut/omp"_pair_coul.html,
@ -986,7 +992,8 @@ package"_Section_accelerate.html.
"yukawa/gpu"_pair_yukawa.html,
"yukawa/omp"_pair_yukawa.html,
"yukawa/colloid/gpu"_pair_yukawa_colloid.html,
"yukawa/colloid/omp"_pair_yukawa_colloid.html :tb(c=4,ea=c)
"yukawa/colloid/omp"_pair_yukawa_colloid.html,
"zbl/omp"_pair_zbl.html :tb(c=4,ea=c)
:line

View File

@ -21,6 +21,8 @@
</H3>
<H3>pair_style coul/dsf/gpu command
</H3>
<H3>pair_style coul/dsf/omp command
</H3>
<H3>pair_style coul/long command
</H3>
<H3>pair_style coul/long/omp command

View File

@ -12,6 +12,7 @@ pair_style coul/debye command :h3
pair_style coul/debye/omp command :h3
pair_style coul/dsf command :h3
pair_style coul/dsf/gpu command :h3
pair_style coul/dsf/omp command :h3
pair_style coul/long command :h3
pair_style coul/long/omp command :h3
pair_style coul/long/gpu command :h3

View File

@ -41,6 +41,8 @@
</H3>
<H3>pair_style lj/cut/coul/dsf/gpu command
</H3>
<H3>pair_style lj/cut/coul/dsf/omp command
</H3>
<H3>pair_style lj/cut/coul/long command
</H3>
<H3>pair_style lj/cut/coul/long/cuda command

View File

@ -22,6 +22,7 @@ pair_style lj/cut/coul/debye/gpu command :h3
pair_style lj/cut/coul/debye/omp command :h3
pair_style lj/cut/coul/dsf command :h3
pair_style lj/cut/coul/dsf/gpu command :h3
pair_style lj/cut/coul/dsf/omp command :h3
pair_style lj/cut/coul/long command :h3
pair_style lj/cut/coul/long/cuda command :h3
pair_style lj/cut/coul/long/gpu command :h3

View File

@ -9,21 +9,27 @@
<HR>
<H3>pair_style nm command
<H3>pair_style nm/cut command
</H3>
<H3>pair_style nm/cut/coul/cut command
</H3>
<H3>pair_style nm/cut/coul/long command
</H3>
<H3>pair_style nm/cut/omp command
</H3>
<H3>pair_style nm/cut/coul/cut/omp command
</H3>
<H3>pair_style nm/cut/coul/long/omp command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style style args
</PRE>
<UL><LI>style = <I>nm</I> or <I>nm/cut/coul/cut</I> or <I>nm/cut/coul/long</I>
<UL><LI>style = <I>nm/cut</I> or <I>nm/cut/coul/cut</I> or <I>nm/cut/coul/long</I>
<LI>args = list of arguments for a particular style
<PRE> <I>nm</I> args = cutoff
<PRE> <I>nm/cut</I> args = cutoff
cutoff = global cutoff for Pair interactions (distance units)
<I>nm/cut/coul/cut</I> args = cutoff (cutoff2)
cutoff = global cutoff for Pair (and Coulombic if only 1 arg) (distance units)
@ -36,7 +42,7 @@
</UL>
<P><B>Examples:</B>
</P>
<PRE>pair_style nm 12.0
<PRE>pair_style nm/cut 12.0
pair_coeff * * 0.01 5.4 8.0 7.0
pair_coeff 1 1 0.01 4.4 7.0 6.0
</PRE>
@ -133,6 +139,28 @@ to be specified in an input script that reads a restart file.
the <A HREF = "run_style.html">run_style respa</A> command. They do not support the
<I>inner</I>, <I>middle</I>, <I>outer</I> keywords.
</P>
<HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
the same as the corresponding style without the suffix. They have
been optimized to run faster, depending on your available hardware, as
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
manual. The accelerated styles take the same arguments and should
produce the same results, except for round-off and precision issues.
</P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
packages, respectively. They are only enabled if LAMMPS was built with
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
more instructions on how to use the accelerated styles effectively.
</P>
<P><B>Restrictions:</B>
</P>
<P>These pair styles are part of the MISC package. It is only enabled if

View File

@ -6,17 +6,20 @@
:line
pair_style nm command :h3
pair_style nm/cut command :h3
pair_style nm/cut/coul/cut command :h3
pair_style nm/cut/coul/long command :h3
pair_style nm/cut/omp command :h3
pair_style nm/cut/coul/cut/omp command :h3
pair_style nm/cut/coul/long/omp command :h3
[Syntax:]
pair_style style args :pre
style = {nm} or {nm/cut/coul/cut} or {nm/cut/coul/long} :ulb,l
style = {nm/cut} or {nm/cut/coul/cut} or {nm/cut/coul/long} :ulb,l
args = list of arguments for a particular style :l
{nm} args = cutoff
{nm/cut} args = cutoff
cutoff = global cutoff for Pair interactions (distance units)
{nm/cut/coul/cut} args = cutoff (cutoff2)
cutoff = global cutoff for Pair (and Coulombic if only 1 arg) (distance units)
@ -28,7 +31,7 @@ args = list of arguments for a particular style :l
[Examples:]
pair_style nm 12.0
pair_style nm/cut 12.0
pair_coeff * * 0.01 5.4 8.0 7.0
pair_coeff 1 1 0.01 4.4 7.0 6.0 :pre
@ -125,6 +128,28 @@ All of the {nm} pair styles can only be used via the {pair} keyword of
the "run_style respa"_run_style.html command. They do not support the
{inner}, {middle}, {outer} keywords.
:line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
the same as the corresponding style without the suffix. They have
been optimized to run faster, depending on your available hardware, as
discussed in "Section_accelerate"_Section_accelerate.html of the
manual. The accelerated styles take the same arguments and should
produce the same results, except for round-off and precision issues.
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
packages, respectively. They are only enabled if LAMMPS was built with
those packages. See the "Making LAMMPS"_Section_start.html#start_3
section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.
See "Section_accelerate"_Section_accelerate.html of the manual for
more instructions on how to use the accelerated styles effectively.
[Restrictions:]
These pair styles are part of the MISC package. It is only enabled if

View File

@ -11,6 +11,8 @@
<H3>pair_style tersoff/mod command
</H3>
<H3>pair_style tersoff/mod/omp command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style tersoff/mod
@ -114,6 +116,28 @@ for SiSiSi means Si bonded to a Si with another Si atom influencing the bond.
</P>
<HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
the same as the corresponding style without the suffix. They have
been optimized to run faster, depending on your available hardware, as
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
manual. The accelerated styles take the same arguments and should
produce the same results, except for round-off and precision issues.
</P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
packages, respectively. They are only enabled if LAMMPS was built with
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
more instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>This pair style does not support the <A HREF = "pair_modify.html">pair_modify</A>

View File

@ -7,6 +7,7 @@
:line
pair_style tersoff/mod command :h3
pair_style tersoff/mod/omp command :h3
[Syntax:]
@ -111,6 +112,28 @@ for SiSiSi means Si bonded to a Si with another Si atom influencing the bond.
:line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
the same as the corresponding style without the suffix. They have
been optimized to run faster, depending on your available hardware, as
discussed in "Section_accelerate"_Section_accelerate.html of the
manual. The accelerated styles take the same arguments and should
produce the same results, except for round-off and precision issues.
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
packages, respectively. They are only enabled if LAMMPS was built with
those packages. See the "Making LAMMPS"_Section_start.html#start_3
section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.
See "Section_accelerate"_Section_accelerate.html of the manual for
more instructions on how to use the accelerated styles effectively.
:line
[Mixing, shift, table, tail correction, restart, rRESPA info]:
This pair style does not support the "pair_modify"_pair_modify.html

View File

@ -11,6 +11,8 @@
<H3>pair_style zbl command
</H3>
<H3>pair_style zbl/omp command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style zbl inner outer
@ -66,6 +68,28 @@ always be given in units of electron charge.
</P>
<HR>
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> suffix are functionally
the same as the corresponding style without the suffix. They have
been optimized to run faster, depending on your available hardware, as
discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
manual. The accelerated styles take the same arguments and should
produce the same results, except for round-off and precision issues.
</P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
packages, respectively. They are only enabled if LAMMPS was built with
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A>
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
switch</A> when you invoke LAMMPS, or you can
use the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>
<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
more instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
</P>
<P>Mixing is not relevant for this pair style, since as explained above,

View File

@ -7,6 +7,7 @@
:line
pair_style zbl command :h3
pair_style zbl/omp command :h3
[Syntax:]
@ -63,6 +64,28 @@ always be given in units of electron charge.
:line
Styles with a {cuda}, {gpu}, {omp}, or {opt} suffix are functionally
the same as the corresponding style without the suffix. They have
been optimized to run faster, depending on your available hardware, as
discussed in "Section_accelerate"_Section_accelerate.html of the
manual. The accelerated styles take the same arguments and should
produce the same results, except for round-off and precision issues.
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
packages, respectively. They are only enabled if LAMMPS was built with
those packages. See the "Making LAMMPS"_Section_start.html#start_3
section for more info.
You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.
See "Section_accelerate"_Section_accelerate.html of the manual for
more instructions on how to use the accelerated styles effectively.
:line
[Mixing, shift, table, tail correction, restart, rRESPA info]:
Mixing is not relevant for this pair style, since as explained above,