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22
doc/Section_commands.html
View File

@ -439,17 +439,17 @@ package</A>.
</P>
<DIV ALIGN=center><TABLE BORDER=1 >
<TR ALIGN="center"><TD ><A HREF = "pair_born.html">born/coul/long/cuda</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut/cuda</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long/cuda</A></TD><TD ><A HREF = "pair_buck.html">buck/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_cmm.html">cg/cmm/cuda</A></TD><TD ><A HREF = "pair_cmm.html">cg/cmm/coul/cut/cuda</A></TD><TD ><A HREF = "pair_cmm.html">cg/cmm/coul/debye/cuda</A></TD><TD ><A HREF = "pair_cmm.html">cg/cmm/coul/long/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/cuda</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy/cuda</A></TD><TD ><A HREF = "pair_eam.html">eam/cuda</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_gran.html">gran/hooke/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/gpu</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/experimental/cuda</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/cuda</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/cuda</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj_smooth.html">lj/smooth/cuda</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut/cuda</A></TD><TD ><A HREF = "pair_morse.html">morse/cuda</A></TD><TD ><A HREF = "pair_gayberne.html">gayberne/gpu</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_cmm.html">cg/cmm/gpu</A></TD><TD ><A HREF = "pair_cmm.html">cg/cmm/coul/long/gpu</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/gpu</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/gpu</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/gpu</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut/gpu</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_morse.html">morse/gpu</A></TD><TD ><A HREF = "pair_eam.html">eam/opt</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy/opt</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/opt</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/opt</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/opt</A></TD><TD ><A HREF = "pair_morse.html">morse/opt</A></TD><TD ><A HREF = "pair_resquared.html">resquared/gpu</A>
<TR ALIGN="center"><TD ><A HREF = "pair_cmm.html">cg/cmm/coul/cut/cuda</A></TD><TD ><A HREF = "pair_cmm.html">cg/cmm/coul/debye/cuda</A></TD><TD ><A HREF = "pair_cmm.html">cg/cmm/coul/long/cuda</A></TD><TD ><A HREF = "pair_cmm.html">cg/cmm/coul/long/gpu</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_cmm.html">cg/cmm/cuda</A></TD><TD ><A HREF = "pair_cmm.html">cg/cmm/gpu</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy/cuda</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy/opt</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/cuda</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/cuda</A></TD><TD ><A HREF = "pair_eam.html">eam/fs/opt</A></TD><TD ><A HREF = "pair_eam.html">eam/opt</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_gayberne.html">gayberne/gpu</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/gpu</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/opt</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/gpu</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/gpu</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/experimental/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/gpu</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/opt</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/cuda</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/gpu</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_gromacs.html">lj/gromacs/cuda</A></TD><TD ><A HREF = "pair_lj_smooth.html">lj/smooth/cuda</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut/cuda</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut/gpu</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_morse.html">morse/cuda</A></TD><TD ><A HREF = "pair_morse.html">morse/gpu</A></TD><TD ><A HREF = "pair_morse.html">morse/opt</A></TD><TD ><A HREF = "pair_resquared.html">resquared/gpu</A>
</TD></TR></TABLE></DIV>
<HR>

36
doc/Section_commands.txt
View File

@ -674,48 +674,48 @@ package"_Section_accelerate.html.
"buck/coul/cut/cuda"_pair_buck.html,
"buck/coul/long/cuda"_pair_buck.html,
"buck/cuda"_pair_buck.html,
"cg/cmm/cuda"_pair_cmm.html,
"cg/cmm/coul/cut/cuda"_pair_cmm.html,
"cg/cmm/coul/debye/cuda"_pair_cmm.html,
"cg/cmm/coul/long/cuda"_pair_cmm.html,
"lj/cut/coul/long/cuda"_pair_lj.html,
"cg/cmm/coul/long/gpu"_pair_cmm.html,
"cg/cmm/cuda"_pair_cmm.html,
"cg/cmm/gpu"_pair_cmm.html,
"eam/alloy/cuda"_pair_eam.html,
"eam/alloy/opt"_pair_eam.html,
"eam/cuda"_pair_eam.html,
"eam/fs/cuda"_pair_eam.html,
"eam/fs/opt"_pair_eam.html,
"eam/opt"_pair_eam.html,
"gayberne/gpu"_pair_gayberne.html,
"gran/hooke/cuda"_pair_gran.html,
"lj/charmm/coul/charmm/cuda"_pair_charmm.html,
"lj/charmm/coul/charmm/implicit/cuda"_pair_charmm.html,
"lj/charmm/coul/long/cuda"_pair_charmm.html,
"lj/charmm/coul/long/gpu"_pair_charmm.html,
"lj/charmm/coul/long/opt"_pair_charmm.html,
"lj/class2/coul/cut/cuda"_pair_class2.html,
"lj/class2/cuda"_pair_class2.html,
"lj/class2/gpu"_pair_class2.html,
"lj/class2/coul/long/cuda"_pair_class2.html,
"lj/class2/coul/long/gpu"_pair_class2.html,
"lj/class2/cuda"_pair_class2.html,
"lj/class2/gpu"_pair_class2.html,
"lj/cut/coul/cut/cuda"_pair_lj.html,
"lj/cut/coul/cut/gpu"_pair_lj.html,
"lj/cut/coul/debye/cuda"_pair_lj.html,
"lj/cut/coul/long/cuda"_pair_lj.html,
"lj/cut/coul/long/gpu"_pair_lj.html,
"lj/cut/cuda"_pair_lj.html,
"lj/cut/experimental/cuda"_pair_lj.html,
"lj/cut/gpu"_pair_lj.html,
"lj/cut/opt"_pair_lj.html,
"lj/expand/cuda"_pair_lj_expand.html,
"lj/expand/gpu"_pair_lj_expand.html,
"lj/gromacs/coul/gromacs/cuda"_pair_gromacs.html,
"lj/gromacs/cuda"_pair_gromacs.html,
"lj/smooth/cuda"_pair_lj_smooth.html,
"lj96/cut/cuda"_pair_lj96.html,
"morse/cuda"_pair_morse.html,
"gayberne/gpu"_pair_gayberne.html,
"cg/cmm/gpu"_pair_cmm.html,
"cg/cmm/coul/long/gpu"_pair_cmm.html,
"lj/charmm/coul/long/gpu"_pair_charmm.html,
"lj/cut/coul/cut/gpu"_pair_lj.html,
"lj/cut/coul/long/gpu"_pair_lj.html,
"lj/cut/gpu"_pair_lj.html,
"lj/expand/gpu"_pair_lj_expand.html,
"lj96/cut/gpu"_pair_lj96.html,
"morse/cuda"_pair_morse.html,
"morse/gpu"_pair_morse.html,
"eam/opt"_pair_eam.html,
"eam/alloy/opt"_pair_eam.html,
"eam/fs/opt"_pair_eam.html,
"lj/charmm/coul/long/opt"_pair_charmm.html,
"lj/cut/opt"_pair_lj.html,
"morse/opt"_pair_morse.html,
"resquared/gpu"_pair_resquared.html :tb(c=4,ea=c)

25
doc/compute_pe.html
View File

@ -11,6 +11,8 @@
<H3>compute pe command
</H3>
<H3>compute pe/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>compute ID group-ID pe keyword ...
@ -54,6 +56,29 @@ LAMMPS starts up, as if this command were in the input script:
</PRE>
<P>See the "thermo_style" command for more details.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Output info:</B>
</P>
<P>This compute calculates a global scalar (the potential energy). This

24
doc/compute_pe.txt
View File

@ -7,6 +7,7 @@
:line
compute pe command :h3
compute pe/cuda command :h3
[Syntax:]
@ -51,6 +52,29 @@ compute thermo_pe all pe :pre
See the "thermo_style" command for more details.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Output info:]
This compute calculates a global scalar (the potential energy). This

25
doc/compute_pressure.html
View File

@ -11,6 +11,8 @@
<H3>compute pressure command
</H3>
<H3>compute pressure/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>compute ID group-ID pressure temp-ID keyword ...
@ -84,6 +86,29 @@ LAMMPS starts up, as if this command were in the input script:
<P>where "thermo_temp" is the ID of a similarly defined compute of style
"temp". See the "thermo_style" command for more details.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Output info:</B>
</P>
<P>This compute calculates a global scalar (the pressure) and a global

24
doc/compute_pressure.txt
View File

@ -7,6 +7,7 @@
:line
compute pressure command :h3
compute pressure/cuda command :h3
[Syntax:]
@ -81,6 +82,29 @@ compute thermo_press all pressure thermo_temp :pre
where "thermo_temp" is the ID of a similarly defined compute of style
"temp". See the "thermo_style" command for more details.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Output info:]
This compute calculates a global scalar (the pressure) and a global

25
doc/compute_temp.html
View File

@ -11,6 +11,8 @@
<H3>compute temp command
</H3>
<H3>compute temp/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>compute ID group-ID temp
@ -64,6 +66,29 @@ LAMMPS starts up, as if this command were in the input script:
discussion of different ways to compute temperature and perform
thermostatting.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Output info:</B>
</P>
<P>This compute calculates a global scalar (the temperature) and a global

24
doc/compute_temp.txt
View File

@ -7,6 +7,7 @@
:line
compute temp command :h3
compute temp/cuda command :h3
[Syntax:]
@ -61,6 +62,29 @@ See "this howto section"_Section_howto.html#4_16 of the manual for a
discussion of different ways to compute temperature and perform
thermostatting.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Output info:]
This compute calculates a global scalar (the temperature) and a global

25
doc/compute_temp_partial.html
View File

@ -11,6 +11,8 @@
<H3>compute temp/partial command
</H3>
<H3>compute temp/partial/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>compute ID group-ID temp/partial xflag yflag zflag
@ -72,6 +74,29 @@ needed, the subtracted degrees-of-freedom can be altered using the
discussion of different ways to compute temperature and perform
thermostatting.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Output info:</B>
</P>
<P>This compute calculates a global scalar (the temperature) and a global

24
doc/compute_temp_partial.txt
View File

@ -7,6 +7,7 @@
:line
compute temp/partial command :h3
compute temp/partial/cuda command :h3
[Syntax:]
@ -69,6 +70,29 @@ See "this howto section"_Section_howto.html#4_16 of the manual for a
discussion of different ways to compute temperature and perform
thermostatting.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Output info:]
This compute calculates a global scalar (the temperature) and a global

25
doc/fix_addforce.html
View File

@ -11,6 +11,8 @@
<H3>fix addforce command
</H3>
<H3>fix addforce/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID addforce fx fy fz keyword value ...
@ -105,6 +107,29 @@ were a spring-like F = kx, then the energy formula should be E =
-0.5kx^2. If you don't do this correctly, the minimization will not
converge properly.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart

24
doc/fix_addforce.txt
View File

@ -7,6 +7,7 @@
:line
fix addforce command :h3
fix addforce/cuda command :h3
[Syntax:]
@ -95,6 +96,29 @@ were a spring-like F = kx, then the energy formula should be E =
-0.5kx^2. If you don't do this correctly, the minimization will not
converge properly.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart

25
doc/fix_aveforce.html
View File

@ -11,6 +11,8 @@
<H3>fix aveforce command
</H3>
<H3>fix aveforce/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID aveforce fx fy fz keyword value ...
@ -71,6 +73,29 @@ time. Thus it is easy to specify a time-dependent average force.
specified geometric <A HREF = "region.html">region</A> in order to have force added
to it.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart

24
doc/fix_aveforce.txt
View File

@ -7,6 +7,7 @@
:line
fix aveforce command :h3
fix aveforce/cuda command :h3
[Syntax:]
@ -61,6 +62,29 @@ If the {region} keyword is used, the atom must also be in the
specified geometric "region"_region.html in order to have force added
to it.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart

25
doc/fix_enforce2d.html
View File

@ -11,6 +11,8 @@
<H3>fix enforce2d command
</H3>
<H3>fix enforce2d/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID enforce2d
@ -28,6 +30,29 @@
This is useful when running a 2d simulation to insure that atoms do
not move from their initial z coordinate.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart

24
doc/fix_enforce2d.txt
View File

@ -7,6 +7,7 @@
:line
fix enforce2d command :h3
fix enforce2d/cuda command :h3
[Syntax:]
@ -25,6 +26,29 @@ Zero out the z-dimension velocity and force on each atom in the group.
This is useful when running a 2d simulation to insure that atoms do
not move from their initial z coordinate.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart

25
doc/fix_freeze.html
View File

@ -11,6 +11,8 @@
<H3>fix freeze command
</H3>
<H3>fix freeze/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID freeze
@ -30,6 +32,29 @@ for preventing certain particles from moving in a simulation. The
defined and compute interactions between frozen and non-frozen
particles appropriately, as if the frozen particle has infinite mass.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart

24
doc/fix_freeze.txt
View File

@ -7,6 +7,7 @@
:line
fix freeze command :h3
fix freeze/cuda command :h3
[Syntax:]
@ -27,6 +28,29 @@ for preventing certain particles from moving in a simulation. The
defined and compute interactions between frozen and non-frozen
particles appropriately, as if the frozen particle has infinite mass.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart

25
doc/fix_gravity.html
View File

@ -11,6 +11,8 @@
<H3>fix gravity command
</H3>
<H3>fix gravity/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group gravity style magnitude args
@ -85,6 +87,29 @@ For 2d systems, <I>phi</I> and <I>phi_grad</I> are ignored.
<P>Style <I>vector</I> imposes an acceleration in the vector direction given
by (x,y,z). For 2d systems, the z component is ignored.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart

24
doc/fix_gravity.txt
View File

@ -7,6 +7,7 @@
:line
fix gravity command :h3
fix gravity/cuda command :h3
[Syntax:]
@ -77,6 +78,29 @@ For 2d systems, {phi} and {phi_grad} are ignored.
Style {vector} imposes an acceleration in the vector direction given
by (x,y,z). For 2d systems, the z component is ignored.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart

27
doc/fix_nh.html
View File

@ -11,8 +11,12 @@
<H3>fix nvt command
</H3>
<H3>fix nvt/cuda command
</H3>
<H3>fix npt command
</H3>
<H3>fix npt/cuda command
</H3>
<H3>fix nph command
</H3>
<P><B>Syntax:</B>
@ -344,6 +348,29 @@ temperature is calculated taking the bias into account, bias is
removed from each atom, thermostatting is performed on the remaining
thermal degrees of freedom, and the bias is added back in.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>These fixes writes the state of all the thermostat and barostat

25
doc/fix_nh.txt
View File

@ -7,7 +7,9 @@
:line
fix nvt command :h3
fix nvt/cuda command :h3
fix npt command :h3
fix npt/cuda command :h3
fix nph command :h3
[Syntax:]
@ -336,6 +338,29 @@ temperature is calculated taking the bias into account, bias is
removed from each atom, thermostatting is performed on the remaining
thermal degrees of freedom, and the bias is added back in.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Restart, fix_modify, output, run start/stop, minimize info:]
These fixes writes the state of all the thermostat and barostat

25
doc/fix_nve.html
View File

@ -11,6 +11,8 @@
<H3>fix nve command
</H3>
<H3>fix nve/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID nve
@ -29,6 +31,29 @@ atoms in the group each timestep. V is volume; E is energy. This
creates a system trajectory consistent with the microcanonical
ensemble.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart

24
doc/fix_nve.txt
View File

@ -7,6 +7,7 @@
:line
fix nve command :h3
fix nve/cuda command :h3
[Syntax:]
@ -26,6 +27,29 @@ atoms in the group each timestep. V is volume; E is energy. This
creates a system trajectory consistent with the microcanonical
ensemble.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart

25
doc/fix_setforce.html
View File

@ -11,6 +11,8 @@
<H3>fix setforce command
</H3>
<H3>fix setforce/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID setforce fx fy fz keyword value ...
@ -72,6 +74,29 @@ field with optional time-dependence as well.
specified geometric <A HREF = "region.html">region</A> in order to have force added
to it.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart

24
doc/fix_setforce.txt
View File

@ -7,6 +7,7 @@
:line
fix setforce command :h3
fix setforce/cuda command :h3
[Syntax:]
@ -62,6 +63,29 @@ If the {region} keyword is used, the atom must also be in the
specified geometric "region"_region.html in order to have force added
to it.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart

25
doc/fix_shake.html
View File

@ -11,6 +11,8 @@
<H3>fix shake command
</H3>
<H3>fix shake/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID shake tol iter N keyword values ...
@ -86,6 +88,29 @@ for in temperature and pressure computations. Similarly, the SHAKE
contribution to the pressure of the system (virial) is also accounted
for.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart

24
doc/fix_shake.txt
View File

@ -7,6 +7,7 @@
:line
fix shake command :h3
fix shake/cuda command :h3
[Syntax:]
@ -75,6 +76,29 @@ for in temperature and pressure computations. Similarly, the SHAKE
contribution to the pressure of the system (virial) is also accounted
for.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart

25
doc/fix_temp_berendsen.html
View File

@ -11,6 +11,8 @@
<H3>fix temp/berendsen command
</H3>
<H3>fix temp/berendsen/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID temp/berendsen Tstart Tstop Tdamp
@ -93,6 +95,29 @@ temperature is calculated taking the bias into account, bias is
removed from each atom, thermostatting is performed on the remaining
thermal degrees of freedom, and the bias is added back in.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart

24
doc/fix_temp_berendsen.txt
View File

@ -7,6 +7,7 @@
:line
fix temp/berendsen command :h3
fix temp/berendsen/cuda command :h3
[Syntax:]
@ -90,6 +91,29 @@ temperature is calculated taking the bias into account, bias is
removed from each atom, thermostatting is performed on the remaining
thermal degrees of freedom, and the bias is added back in.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart

27
doc/fix_temp_rescale.html
View File

@ -11,6 +11,10 @@
<H3>fix temp/rescale command
</H3>
<H3>fix temp/rescale/cuda command
</H3>
<H3>fix temp/rescale/limit/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID temp/rescale N Tstart Tstop window fraction
@ -100,6 +104,29 @@ temperature is calculated taking the bias into account, bias is
removed from each atom, thermostatting is performed on the remaining
thermal degrees of freedom, and the bias is added back in.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart

25
doc/fix_temp_rescale.txt
View File

@ -7,6 +7,8 @@
:line
fix temp/rescale command :h3
fix temp/rescale/cuda command :h3
fix temp/rescale/limit/cuda command :h3
[Syntax:]
@ -97,6 +99,29 @@ temperature is calculated taking the bias into account, bias is
removed from each atom, thermostatting is performed on the remaining
thermal degrees of freedom, and the bias is added back in.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart

25
doc/fix_viscous.html
View File

@ -11,6 +11,8 @@
<H3>fix viscous command
</H3>
<H3>fix viscous/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID viscous gamma keyword values ...
@ -80,6 +82,29 @@ the damping parameter of <A HREF = "fix_langevin.html">fix langevin</A>, except
the units of gamma are force/velocity and the units of damp are time,
so that it can more easily be used as a thermostat.
</P>
<HR>
<P>Styles with a <I>cuda</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">this section</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" package. 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>
<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#2_6">-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">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart

24
doc/fix_viscous.txt
View File

@ -7,6 +7,7 @@
:line
fix viscous command :h3
fix viscous/cuda command :h3
[Syntax:]
@ -72,6 +73,29 @@ the damping parameter of "fix langevin"_fix_langevin.html, except that
the units of gamma are force/velocity and the units of damp are time,
so that it can more easily be used as a thermostat.
:line
Styles with a {cuda} 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
"this section"_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" package. They
are only enabled if LAMMPS was built with that package. See the
"Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_Section_accelerate.html of the manual for more
instructions on how to use the accelerated styles effectively.
:line
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart

24
doc/pair_born.html
View File

@ -13,6 +13,8 @@
</H3>
<H3>pair_style born/coul/long command
</H3>
<H3>pair_style born/coul/long/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style style args
@ -87,6 +89,28 @@ Coulombic cutoff specified in the pair_style command.
</P>
<HR>
<P>Styles with a <I>cuda</I>, <I>gpu</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">this section</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", and "opt"
packages respectively. They are only enabled if LAMMPS was built with
those packages. See the <A HREF = "Section_start.html#2_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#2_6">-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">this section</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>These pair styles do not support mixing. Thus, coefficients for all

23
doc/pair_born.txt
View File

@ -9,6 +9,7 @@
pair_style born command :h3
pair_style born/coul/long command :h3
pair_style born/coul/long/cuda command :h3
[Syntax:]
@ -83,6 +84,28 @@ Coulombic cutoff specified in the pair_style command.
:line
Styles with a {cuda}, {gpu}, 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 "this section"_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", and "opt"
packages respectively. They are only enabled if LAMMPS was built with
those packages. See the "Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_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]:
These pair styles do not support mixing. Thus, coefficients for all

28
doc/pair_buck.html
View File

@ -11,10 +11,16 @@
<H3>pair_style buck command
</H3>
<H3>pair_style buck/cuda command
</H3>
<H3>pair_style buck/coul/cut command
</H3>
<H3>pair_style buck/coul/cut/cuda command
</H3>
<H3>pair_style buck/coul/long command
</H3>
<H3>pair_style buck/coul/long/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style style args
@ -104,6 +110,28 @@ pair_style command.
</P>
<HR>
<P>Styles with a <I>cuda</I>, <I>gpu</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">this section</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", and "opt"
packages respectively. They are only enabled if LAMMPS was built with
those packages. See the <A HREF = "Section_start.html#2_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#2_6">-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">this section</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>These pair styles do not support mixing. Thus, coefficients for all

25
doc/pair_buck.txt
View File

@ -7,8 +7,11 @@
:line
pair_style buck command :h3
pair_style buck/cuda command :h3
pair_style buck/coul/cut command :h3
pair_style buck/coul/cut/cuda command :h3
pair_style buck/coul/long command :h3
pair_style buck/coul/long/cuda command :h3
[Syntax:]
@ -98,6 +101,28 @@ pair_style command.
:line
Styles with a {cuda}, {gpu}, 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 "this section"_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", and "opt"
packages respectively. They are only enabled if LAMMPS was built with
those packages. See the "Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_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]:
These pair styles do not support mixing. Thus, coefficients for all

6
doc/pair_charmm.html
View File

@ -11,10 +11,16 @@
<H3>pair_style lj/charmm/coul/charmm command
</H3>
<H3>pair_style lj/charmm/coul/charmm/cuda command
</H3>
<H3>pair_style lj/charmm/coul/charmm/implicit command
</H3>
<H3>pair_style lj/charmm/coul/charmm/implicit/cuda command
</H3>
<H3>pair_style lj/charmm/coul/long command
</H3>
<H3>pair_style lj/charmm/coul/long/cuda command
</H3>
<H3>pair_style lj/charmm/coul/long/gpu command
</H3>
<H3>pair_style lj/charmm/coul/long/opt command

3
doc/pair_charmm.txt
View File

@ -7,8 +7,11 @@
:line
pair_style lj/charmm/coul/charmm command :h3
pair_style lj/charmm/coul/charmm/cuda command :h3
pair_style lj/charmm/coul/charmm/implicit command :h3
pair_style lj/charmm/coul/charmm/implicit/cuda command :h3
pair_style lj/charmm/coul/long command :h3
pair_style lj/charmm/coul/long/cuda command :h3
pair_style lj/charmm/coul/long/gpu command :h3
pair_style lj/charmm/coul/long/opt command :h3

10
doc/pair_class2.html
View File

@ -11,12 +11,18 @@
<H3>pair_style lj/class2 command
</H3>
<H3>pair_style lj/class2/cuda command
</H3>
<H3>pair_style lj/class2/gpu command
</H3>
<H3>pair_style lj/class2/coul/cut command
</H3>
<H3>pair_style lj/class2/coul/cut/cuda command
</H3>
<H3>pair_style lj/class2/coul/long command
</H3>
<H3>pair_style lj/class2/coul/long/cuda command
</H3>
<H3>pair_style lj/class2/coul/long/gpu command
</H3>
<P><B>Syntax:</B>
@ -90,8 +96,8 @@ since a Coulombic cutoff cannot be specified for an individual I,J
type pair. All type pairs use the same global Coulombic cutoff
specified in the pair_style command.
</P>
<P>: line
</P>
<HR>
<P>If the pair_coeff command is not used to define coefficients for a
particular I != J type pair, the mixing rule for epsilon and sigma for
all class2 potentials is to use the <I>sixthpower</I> formulas documented

5
doc/pair_class2.txt
View File

@ -7,9 +7,12 @@
:line
pair_style lj/class2 command :h3
pair_style lj/class2/cuda command :h3
pair_style lj/class2/gpu command :h3
pair_style lj/class2/coul/cut command :h3
pair_style lj/class2/coul/cut/cuda command :h3
pair_style lj/class2/coul/long command :h3
pair_style lj/class2/coul/long/cuda command :h3
pair_style lj/class2/coul/long/gpu command :h3
[Syntax:]
@ -82,7 +85,7 @@ since a Coulombic cutoff cannot be specified for an individual I,J
type pair. All type pairs use the same global Coulombic cutoff
specified in the pair_style command.
: line
:line
If the pair_coeff command is not used to define coefficients for a
particular I != J type pair, the mixing rule for epsilon and sigma for

8
doc/pair_cmm.html
View File

@ -11,14 +11,22 @@
<H3>pair_style cg/cmm command
</H3>
<H3>pair_style cg/cmm/cuda command
</H3>
<H3>pair_style cg/cmm/gpu command
</H3>
<H3>pair_style cg/cmm/coul/cut command
</H3>
<H3>pair_style cg/cmm/coul/cut/cuda command
</H3>
<H3>pair_style cg/cmm/coul/debye/cuda command
</H3>
<H3>pair_style cg/cmm/coul/long command
</H3>
<H3>pair_style cg/cmm/coul/long/gpu command
</H3>
<H3>pair_style cg/cmm/coul/long/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style style args

4
doc/pair_cmm.txt
View File

@ -7,10 +7,14 @@
:line
pair_style cg/cmm command :h3
pair_style cg/cmm/cuda command :h3
pair_style cg/cmm/gpu command :h3
pair_style cg/cmm/coul/cut command :h3
pair_style cg/cmm/coul/cut/cuda command :h3
pair_style cg/cmm/coul/debye/cuda command :h3
pair_style cg/cmm/coul/long command :h3
pair_style cg/cmm/coul/long/gpu command :h3
pair_style cg/cmm/coul/long/cuda command :h3
[Syntax:]

6
doc/pair_eam.html
View File

@ -11,16 +11,22 @@
<H3>pair_style eam command
</H3>
<H3>pair_style eam/cuda command
</H3>
<H3>pair_style eam/opt command
</H3>
<H3>pair_style eam/alloy command
</H3>
<H3>pair_style eam/alloy/cuda command
</H3>
<H3>pair_style eam/alloy/opt command
</H3>
<H3>pair_style eam/cd command
</H3>
<H3>pair_style eam/fs command
</H3>
<H3>pair_style eam/fs/cuda command
</H3>
<H3>pair_style eam/fs/opt command
</H3>
<P><B>Syntax:</B>

3
doc/pair_eam.txt
View File

@ -7,11 +7,14 @@
:line
pair_style eam command :h3
pair_style eam/cuda command :h3
pair_style eam/opt command :h3
pair_style eam/alloy command :h3
pair_style eam/alloy/cuda command :h3
pair_style eam/alloy/opt command :h3
pair_style eam/cd command :h3
pair_style eam/fs command :h3
pair_style eam/fs/cuda command :h3
pair_style eam/fs/opt command :h3
[Syntax:]

24
doc/pair_gran.html
View File

@ -11,6 +11,8 @@
<H3>pair_style gran/hooke command
</H3>
<H3>pair_style gran/cuda command
</H3>
<H3>pair_style gran/hooke/history command
</H3>
<H3>pair_style gran/hertz/history command
@ -168,6 +170,28 @@ potential.
</P>
<HR>
<P>Styles with a <I>cuda</I>, <I>gpu</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">this section</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", and "opt"
packages respectively. They are only enabled if LAMMPS was built with
those packages. See the <A HREF = "Section_start.html#2_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#2_6">-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">this section</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>The <A HREF = "pair_modify.html">pair_modify</A> mix, shift, table, and tail options

23
doc/pair_gran.txt
View File

@ -7,6 +7,7 @@
:line
pair_style gran/hooke command :h3
pair_style gran/cuda command :h3
pair_style gran/hooke/history command :h3
pair_style gran/hertz/history command :h3
@ -158,6 +159,28 @@ potential.
:line
Styles with a {cuda}, {gpu}, 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 "this section"_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", and "opt"
packages respectively. They are only enabled if LAMMPS was built with
those packages. See the "Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_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]:
The "pair_modify"_pair_modify.html mix, shift, table, and tail options

26
doc/pair_gromacs.html
View File

@ -11,8 +11,12 @@
<H3>pair_style lj/gromacs command
</H3>
<H3>pair_style lj/gromacs/cuda command
</H3>
<H3>pair_style lj/gromacs/coul/gromacs command
</H3>
<H3>pair_style lj/gromacs/coul/gromacs/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style style args
@ -87,6 +91,28 @@ cutoff(s) specified in the pair_style command.
</P>
<HR>
<P>Styles with a <I>cuda</I>, <I>gpu</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">this section</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", and "opt"
packages respectively. They are only enabled if LAMMPS was built with
those packages. See the <A HREF = "Section_start.html#2_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#2_6">-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">this section</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>For atom type pairs I,J and I != J, the epsilon and sigma coefficients

24
doc/pair_gromacs.txt
View File

@ -7,7 +7,9 @@
:line
pair_style lj/gromacs command :h3
pair_style lj/gromacs/cuda command :h3
pair_style lj/gromacs/coul/gromacs command :h3
pair_style lj/gromacs/coul/gromacs/cuda command :h3
[Syntax:]
@ -82,6 +84,28 @@ cutoff(s) specified in the pair_style command.
:line
Styles with a {cuda}, {gpu}, 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 "this section"_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", and "opt"
packages respectively. They are only enabled if LAMMPS was built with
those packages. See the "Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_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]:
For atom type pairs I,J and I != J, the epsilon and sigma coefficients

10
doc/pair_lj.html
View File

@ -11,18 +11,28 @@
<H3>pair_style lj/cut command
</H3>
<H3>pair_style lj/cut/cuda command
</H3>
<H3>pair_style lj/cut/experimental/cuda command
</H3>
<H3>pair_style lj/cut/gpu command
</H3>
<H3>pair_style lj/cut/opt command
</H3>
<H3>pair_style lj/cut/coul/cut command
</H3>
<H3>pair_style lj/cut/coul/cut/cuda command
</H3>
<H3>pair_style lj/cut/coul/cut/gpu command
</H3>
<H3>pair_style lj/cut/coul/debye command
</H3>
<H3>pair_style lj/cut/coul/debye/cuda command
</H3>
<H3>pair_style lj/cut/coul/long command
</H3>
<H3>pair_style lj/cut/coul/long/cuda command
</H3>
<H3>pair_style lj/cut/coul/long/gpu command
</H3>
<H3>pair_style lj/cut/coul/long/tip4p command

5
doc/pair_lj.txt
View File

@ -7,12 +7,17 @@
:line
pair_style lj/cut command :h3
pair_style lj/cut/cuda command :h3
pair_style lj/cut/experimental/cuda command :h3
pair_style lj/cut/gpu command :h3
pair_style lj/cut/opt command :h3
pair_style lj/cut/coul/cut command :h3
pair_style lj/cut/coul/cut/cuda command :h3
pair_style lj/cut/coul/cut/gpu command :h3
pair_style lj/cut/coul/debye command :h3
pair_style lj/cut/coul/debye/cuda 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
pair_style lj/cut/coul/long/tip4p command :h3

2
doc/pair_lj96_cut.html
View File

@ -11,6 +11,8 @@
<H3>pair_style lj96/cut command
</H3>
<H3>pair_style lj96/cut/cuda command
</H3>
<H3>pair_style lj96/cut/gpu command
</H3>
<P><B>Syntax:</B>

1
doc/pair_lj96_cut.txt
View File

@ -7,6 +7,7 @@
:line
pair_style lj96/cut command :h3
pair_style lj96/cut/cuda command :h3
pair_style lj96/cut/gpu command :h3
[Syntax:]

2
doc/pair_lj_expand.html
View File

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

1
doc/pair_lj_expand.txt
View File

@ -7,6 +7,7 @@
:line
pair_style lj/expand command :h3
pair_style lj/expand/cuda command :h3
pair_style lj/expand/gpu command :h3
[Syntax:]

24
doc/pair_lj_smooth.html
View File

@ -11,6 +11,8 @@
<H3>pair_style lj/smooth command
</H3>
<H3>pair_style lj/smooth/cuda command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style lj/smooth Rin Rc
@ -61,6 +63,28 @@ specified, the global values for Rin and Rc are used.
</P>
<HR>
<P>Styles with a <I>cuda</I>, <I>gpu</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">this section</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", and "opt"
packages respectively. They are only enabled if LAMMPS was built with
those packages. See the <A HREF = "Section_start.html#2_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#2_6">-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">this section</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>For atom type pairs I,J and I != J, the epsilon, sigma, Rin

23
doc/pair_lj_smooth.txt
View File

@ -7,6 +7,7 @@
:line
pair_style lj/smooth command :h3
pair_style lj/smooth/cuda command :h3
[Syntax:]
@ -58,6 +59,28 @@ specified, the global values for Rin and Rc are used.
:line
Styles with a {cuda}, {gpu}, 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 "this section"_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", and "opt"
packages respectively. They are only enabled if LAMMPS was built with
those packages. See the "Making LAMMPS"_Section_start.html#2_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#2_6 when you invoke LAMMPS, or you can use
the "suffix"_suffix.html command in your input script.
See "this section"_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]:
For atom type pairs I,J and I != J, the epsilon, sigma, Rin

2
doc/pair_morse.html
View File

@ -11,6 +11,8 @@
<H3>pair_style morse command
</H3>
<H3>pair_style morse/cuda command
</H3>
<H3>pair_style morse/gpu command
</H3>
<H3>pair_style morse/opt command

1
doc/pair_morse.txt
View File

@ -7,6 +7,7 @@
:line
pair_style morse command :h3
pair_style morse/cuda command :h3
pair_style morse/gpu command :h3
pair_style morse/opt command :h3