git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6347 f3b2605a-c512-4ea7-a41b-209d697bcdaa

doc/Section_accelerate.html

@@ -106,6 +106,13 @@ to 20% savings.
 
 <H4><A NAME = "10_2"></A>10.2 GPU package 
 </H4>
+<P>Additional requirements in your input script to run the styles with a
+<I>gpu</I> suffix are as follows:
+</P>
+<P>The <A HREF = "newton.html">newton pair</A> setting must be <I>off</I> and the <A HREF = "fix_gpu.html">fix
+gpu</A> command must be used.  The fix controls the GPU
+selection and initialization steps.
+</P>
 <P>The GPU package was developed by Mike Brown at ORNL.
 </P>
 <P>A few LAMMPS <A HREF = "pair_style.html">pair styles</A> can be run on graphical

doc/Section_accelerate.txt

@@ -102,6 +102,15 @@ to 20% savings.
 
 10.2 GPU package :h4,link(10_2)
 
+Additional requirements in your input script to run the styles with a
+{gpu} suffix are as follows:
+
+The "newton pair"_newton.html setting must be {off} and the "fix
+gpu"_fix_gpu.html command must be used.  The fix controls the GPU
+selection and initialization steps.
+
+
+
 The GPU package was developed by Mike Brown at ORNL.
 
 A few LAMMPS "pair styles"_pair_style.html can be run on graphical

doc/kspace_style.html

@@ -76,9 +76,6 @@ long-range potentials.
 <P>Currently, only the <I>ewald/n</I> style can be used with non-orthogonal
 (triclinic symmetry) simulation boxes.
 </P>
-<P>The <I>pppm/gpu/single</I> and <I>pppm/gpu/double</I> styles are GPU-enabled
-version of <I>pppm</I>.  See more details below.
-</P>
 <HR>
 
 <P>When a kspace style is used, a pair style that includes the
@@ -99,23 +96,30 @@ options of the K-space solvers that can be set.
 </P>
 <HR>
 
-<P>The <I>pppm/gpu/single</I> style performs single precision charge
+<P>Styles with a <I>cuda</I>, <I>gpu/single</I>, <I>gpu/double</I>, or <I>opt</I> suffix are
-assignment and force interpolation calculations on the GPU.  The
+functionally the same as the corresponding style without the suffix.
-<I>pppm/gpu/double</I> style performs the mesh calculations on the GPU in
+They have been optimized to run faster, depending on your available
-double precision. In both cases, FFT solves are calculated on the CPU.
+hardware, as discussed in <A HREF = "Section_accelerate.html">this section</A> of
-If either <I>pppm/gpu/single</I> or <I>pppm/gpu/double</I> are used with a
+the manual.  The accelerated styles take the same arguments and should
-GPU-enabled pair style, part of the PPPM calculation can be performed
+produce the same results, except for round-off and precision issues.
-concurrently on the GPU while other calculations for non-bonded and
-bonded force calculation are performed on the CPU.
 </P>
-<P>See <A HREF = "doc/Section_accerate.html">this section</A> of the manual for more
+<P>More specifically, the <I>pppm/gpu/single</I> style performs single
-details.
+precision charge assignment and force interpolation calculations on
+the GPU.  The <I>pppm/gpu/double</I> style performs the mesh calculations
+on the GPU in double precision. In both cases, FFT solves are
+calculated on the CPU.  If either <I>pppm/gpu/single</I> or
+<I>pppm/gpu/double</I> are used with a GPU-enabled pair style, part of the
+PPPM calculation can be performed concurrently on the GPU while other
+calculations for non-bonded and bonded force calculation are performed
+on the CPU.
 </P>
-<P>Additional requirements in your input script to run with GPU-enabled
+<P>These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-PPPM styles are as follows:
+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>The <A HREF = "fix_gpu.html">fix gpu</A> command must be used. The fix controls the
+<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
-GPU selection and initialization steps.
+instructions on how to use the accelerated styles effectively.
 </P>
 <P><B>Restrictions:</B>
 </P>
@@ -132,11 +136,6 @@ LAMMPS</A> section for more info.
 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>The <I>pppm/gpu/single</I> and <I>pppm/gpu/double</I> styles are part of the
-"gpu" 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>When using a long-range pairwise TIP4P potential, you must use kspace
 style <I>pppm/tip4p</I> and vice versa.
 </P>

doc/kspace_style.txt

@@ -71,9 +71,6 @@ long-range potentials.
 Currently, only the {ewald/n} style can be used with non-orthogonal
 (triclinic symmetry) simulation boxes.
 
-The {pppm/gpu/single} and {pppm/gpu/double} styles are GPU-enabled
-version of {pppm}.  See more details below.
-
 :line
 
 When a kspace style is used, a pair style that includes the
@@ -94,23 +91,30 @@ options of the K-space solvers that can be set.
 
 :line
 
-The {pppm/gpu/single} style performs single precision charge
+Styles with a {cuda}, {gpu/single}, {gpu/double}, or {opt} suffix are
-assignment and force interpolation calculations on the GPU.  The
+functionally the same as the corresponding style without the suffix.
-{pppm/gpu/double} style performs the mesh calculations on the GPU in
+They have been optimized to run faster, depending on your available
-double precision. In both cases, FFT solves are calculated on the CPU.
+hardware, as discussed in "this section"_Section_accelerate.html of
-If either {pppm/gpu/single} or {pppm/gpu/double} are used with a
+the manual.  The accelerated styles take the same arguments and should
-GPU-enabled pair style, part of the PPPM calculation can be performed
+produce the same results, except for round-off and precision issues.
-concurrently on the GPU while other calculations for non-bonded and
-bonded force calculation are performed on the CPU.
 
-See "this section"_doc/Section_accerate.html of the manual for more
+More specifically, the {pppm/gpu/single} style performs single
-details.
+precision charge assignment and force interpolation calculations on
+the GPU.  The {pppm/gpu/double} style performs the mesh calculations
+on the GPU in double precision. In both cases, FFT solves are
+calculated on the CPU.  If either {pppm/gpu/single} or
+{pppm/gpu/double} are used with a GPU-enabled pair style, part of the
+PPPM calculation can be performed concurrently on the GPU while other
+calculations for non-bonded and bonded force calculation are performed
+on the CPU.
 
-Additional requirements in your input script to run with GPU-enabled
+These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-PPPM styles are as follows:
+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.
 
-The "fix gpu"_fix_gpu.html command must be used. The fix controls the
+See "this section"_Section_accelerate.html of the manual for more
-GPU selection and initialization steps.
+instructions on how to use the accelerated styles effectively.
 
 [Restrictions:]
 
@@ -127,11 +131,6 @@ The {ewald/n} style is part of the "user-ewaldn" package.  It is only
 enabled if LAMMPS was built with that package.  See the "Making
 LAMMPS"_Section_start.html#2_3 section for more info.
 
-The {pppm/gpu/single} and {pppm/gpu/double} styles are part of the
-"gpu" 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.
-
 When using a long-range pairwise TIP4P potential, you must use kspace
 style {pppm/tip4p} and vice versa.
 

doc/pair_charmm.html

@@ -23,7 +23,7 @@
 </P>
 <PRE>pair_style style args 
 </PRE>
-<UL><LI>style = <I>lj/charmm/coul/charmm</I> or <I>lj/charmm/coul/charmm/implicit</I> or <I>lj/charmm/coul/long</I> or <I>lj/charmm/coul/long/gpu</I> or <I>lj/charmm/coul/long/opt</I>
+<UL><LI>style = <I>lj/charmm/coul/charmm</I> or <I>lj/charmm/coul/charmm/implicit</I> or <I>lj/charmm/coul/long</I>
 <LI>args = list of arguments for a particular style 
 </UL>
 <PRE>  <I>lj/charmm/coul/charmm</I> args = inner outer (inner2) (outer2)
@@ -33,9 +33,6 @@
     inner, outer = global switching cutoffs for LJ (and Coulombic if only 2 args)
     inner2, outer2 = global switching cutoffs for Coulombic (optional)
   <I>lj/charmm/coul/long</I> args = inner outer (cutoff)
-    inner, outer = global switching cutoffs for LJ (and Coulombic if only 2 args)
-    cutoff = global cutoff for Coulombic (optional, outer is Coulombic cutoff if only 2 args)
-  <I>lj/charmm/coul/long/gpu</I> args = inner outer (cutoff)
     inner, outer = global switching cutoffs for LJ (and Coulombic if only 2 args)
     cutoff = global cutoff for Coulombic (optional, outer is Coulombic cutoff if only 2 args) 
 </PRE>
@@ -52,8 +49,6 @@ pair_coeff * * 100.0 2.0
 pair_coeff 1 1 100.0 2.0 150.0 3.5 
 </PRE>
 <PRE>pair_style lj/charmm/coul/long 8.0 10.0
-pair_style lj/charmm/coul/long/gpu 8.0 10.0
-pair_style lj/charmm/coul/long/opt 8.0 10.0
 pair_style lj/charmm/coul/long 8.0 10.0 9.0
 pair_coeff * * 100.0 2.0
 pair_coeff 1 1 100.0 2.0 150.0 3.5 
@@ -92,12 +87,6 @@ applied to the Coulombic term, as in the discussion for pair style
 command, then the outer LJ cutoff is used as the single Coulombic
 cutoff.
 </P>
-<P>Style <I>lj/charmm/coul/long/gpu</I> is a GPU-enabled version of style
-<I>lj/charmm/coul/long</I>.  See more details below.
-</P>
-<P>Style <I>lj/charmm/coul/long/opt</I> is an optimized version of style
-<I>lj/charmm/coul/long</I>.  See more details below.
-</P>
 <P>The following coefficients must be defined for each pair of atoms
 types via the <A HREF = "pair_coeff.html">pair_coeff</A> command as in the examples
 above, or in the data file or restart files read by the
@@ -122,23 +111,25 @@ the pair_style command.
 </P>
 <HR>
 
-<P>The styles with an <I>opt</I> suffix are identical to the corresponding
+<P>Styles with a <I>cuda</I>, <I>gpu</I>, or <I>opt</I> suffix are functionally the same
-styles without the suffix, except that it is written in an optimized
+as the corresponding style without the suffix.  They have been
-fashion for faster CPU execution.  See <A HREF = "doc/Section_accerate.html">this
+optimized to run faster, depending on your available hardware, as
-section</A> of the manual for more details.
+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>The styles with a <I>gpu</I> suffix are identical to the corresponding
+<P>These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-styles without the suffix, except that each processor off-loads its
+packages respectively.  They are only enabled if LAMMPS was built with
-pairwise calculations to a GPU.  Depending on the hardware available
+those packages.  See the <A HREF = "Section_start.html#2_3">Making LAMMPS</A>
-on your system this can provide a speed-up.  See <A HREF = "doc/Section_accerate.html">this
+section for more info.
-section</A> of the manual for more details.
 </P>
-<P>Additional requirements in your input script to run the styles with a
+<P>You can specify the accelerated styles explicitly in your input script
-<I>gpu</I> suffix are as follows:
+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>The <A HREF = "newton.html">newton pair</A> setting must be <I>off</I> and the <A HREF = "fix_gpu.html">fix
+<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
-gpu</A> command must be used.  The fix controls the GPU
+instructions on how to use the accelerated styles effectively.
-selection and initialization steps.
 </P>
 <HR>
 
@@ -154,10 +145,9 @@ command for details.
 <A HREF = "pair_modify.html">pair_modify</A> shift option, since the Lennard-Jones
 portion of the pair interaction is smoothed to 0.0 at the cutoff.
 </P>
-<P>The <I>lj/charmm/coul/long</I> and <I>lj/charmm/coul/long/opt</I> pair styles
+<P>The <I>lj/charmm/coul/long</I> style supports the
-support the <A HREF = "pair_modify.html">pair_modify</A> table option since they can
+<A HREF = "pair_modify.html">pair_modify</A> table option since it can tabulate the
-tabulate the short-range portion of the long-range Coulombic
+short-range portion of the long-range Coulombic interaction.
-interaction.
 </P>
 <P>None of the lj/charmm pair styles support the
 <A HREF = "pair_modify.html">pair_modify</A> tail option for adding long-range tail
@@ -181,9 +171,8 @@ support the <I>pair</I> keyword of run_style respa.  See the
 </P>
 <P>The <I>lj/charmm/coul/charmm</I> and <I>lj/charmm/coul/charmm/implicit</I>
 styles are part of the "molecule" package.  The <I>lj/charmm/coul/long</I>
-style is part of the "kspace" package.  The styles with an <I>opt</I> or
+style is part of the "kspace" package.  They are only enabled if
-<I>gpu</I> suffix are part of the "opt" or "gpu" packages.  They are only
+LAMMPS was built with those packages.  See the <A HREF = "Section_start.html#2_3">Making
-enabled if LAMMPS was built with those packages.  See the <A HREF = "Section_start.html#2_3">Making
 LAMMPS</A> section for more info.  Note that the
 molecule and kspace packages are installed by default.
 </P>

doc/pair_charmm.txt

@@ -16,7 +16,7 @@ pair_style lj/charmm/coul/long/opt command :h3
 
 pair_style style args :pre
 
-style = {lj/charmm/coul/charmm} or {lj/charmm/coul/charmm/implicit} or {lj/charmm/coul/long} or {lj/charmm/coul/long/gpu} or {lj/charmm/coul/long/opt}
+style = {lj/charmm/coul/charmm} or {lj/charmm/coul/charmm/implicit} or {lj/charmm/coul/long}
 args = list of arguments for a particular style :ul
   {lj/charmm/coul/charmm} args = inner outer (inner2) (outer2)
     inner, outer = global switching cutoffs for Lennard Jones (and Coulombic if only 2 args)
@@ -25,9 +25,6 @@ args = list of arguments for a particular style :ul
     inner, outer = global switching cutoffs for LJ (and Coulombic if only 2 args)
     inner2, outer2 = global switching cutoffs for Coulombic (optional)
   {lj/charmm/coul/long} args = inner outer (cutoff)
-    inner, outer = global switching cutoffs for LJ (and Coulombic if only 2 args)
-    cutoff = global cutoff for Coulombic (optional, outer is Coulombic cutoff if only 2 args)
-  {lj/charmm/coul/long/gpu} args = inner outer (cutoff)
     inner, outer = global switching cutoffs for LJ (and Coulombic if only 2 args)
     cutoff = global cutoff for Coulombic (optional, outer is Coulombic cutoff if only 2 args) :pre
 
@@ -44,8 +41,6 @@ pair_coeff * * 100.0 2.0
 pair_coeff 1 1 100.0 2.0 150.0 3.5 :pre
 
 pair_style lj/charmm/coul/long 8.0 10.0
-pair_style lj/charmm/coul/long/gpu 8.0 10.0
-pair_style lj/charmm/coul/long/opt 8.0 10.0
 pair_style lj/charmm/coul/long 8.0 10.0 9.0
 pair_coeff * * 100.0 2.0
 pair_coeff 1 1 100.0 2.0 150.0 3.5 :pre
@@ -84,12 +79,6 @@ applied to the Coulombic term, as in the discussion for pair style
 command, then the outer LJ cutoff is used as the single Coulombic
 cutoff.
 
-Style {lj/charmm/coul/long/gpu} is a GPU-enabled version of style
-{lj/charmm/coul/long}.  See more details below.
-
-Style {lj/charmm/coul/long/opt} is an optimized version of style
-{lj/charmm/coul/long}.  See more details below.
-
 The following coefficients must be defined for each pair of atoms
 types via the "pair_coeff"_pair_coeff.html command as in the examples
 above, or in the data file or restart files read by the
@@ -114,23 +103,25 @@ the pair_style command.
 
 :line
 
-The styles with an {opt} suffix are identical to the corresponding
+Styles with a {cuda}, {gpu}, or {opt} suffix are functionally the same
-styles without the suffix, except that it is written in an optimized
+as the corresponding style without the suffix.  They have been
-fashion for faster CPU execution.  See "this
+optimized to run faster, depending on your available hardware, as
-section"_doc/Section_accerate.html of the manual for more details.
+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.
 
-The styles with a {gpu} suffix are identical to the corresponding
+These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-styles without the suffix, except that each processor off-loads its
+packages respectively.  They are only enabled if LAMMPS was built with
-pairwise calculations to a GPU.  Depending on the hardware available
+those packages.  See the "Making LAMMPS"_Section_start.html#2_3
-on your system this can provide a speed-up.  See "this
+section for more info.
-section"_doc/Section_accerate.html of the manual for more details.
 
-Additional requirements in your input script to run the styles with a
+You can specify the accelerated styles explicitly in your input script
-{gpu} suffix are as follows:
+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.
 
-The "newton pair"_newton.html setting must be {off} and the "fix
+See "this section"_Section_accelerate.html of the manual for more
-gpu"_fix_gpu.html command must be used.  The fix controls the GPU
+instructions on how to use the accelerated styles effectively.
-selection and initialization steps.
 
 :line
 
@@ -146,10 +137,9 @@ None of the lj/charmm pair styles support the
 "pair_modify"_pair_modify.html shift option, since the Lennard-Jones
 portion of the pair interaction is smoothed to 0.0 at the cutoff.
 
-The {lj/charmm/coul/long} and {lj/charmm/coul/long/opt} pair styles
+The {lj/charmm/coul/long} style supports the
-support the "pair_modify"_pair_modify.html table option since they can
+"pair_modify"_pair_modify.html table option since it can tabulate the
-tabulate the short-range portion of the long-range Coulombic
+short-range portion of the long-range Coulombic interaction.
-interaction.
 
 None of the lj/charmm pair styles support the
 "pair_modify"_pair_modify.html tail option for adding long-range tail
@@ -173,9 +163,8 @@ support the {pair} keyword of run_style respa.  See the
 
 The {lj/charmm/coul/charmm} and {lj/charmm/coul/charmm/implicit}
 styles are part of the "molecule" package.  The {lj/charmm/coul/long}
-style is part of the "kspace" package.  The styles with an {opt} or
+style is part of the "kspace" package.  They are only enabled if
-{gpu} suffix are part of the "opt" or "gpu" packages.  They are only
+LAMMPS was built with those packages.  See the "Making
-enabled if LAMMPS was built with those packages.  See the "Making
 LAMMPS"_Section_start.html#2_3 section for more info.  Note that the
 molecule and kspace packages are installed by default.
 

doc/pair_class2.html

@@ -23,7 +23,7 @@
 </P>
 <PRE>pair_style style args 
 </PRE>
-<UL><LI>style = <I>lj/class2</I> or <I>lj/class2/gpu</I> or <I>lj/class2/coul/cut</I> or <I>lj/class2/coul/long</I> or <I>lj/class2/coul/long/gpu</I>
+<UL><LI>style = <I>lj/class2</I> or <I>lj/class2/coul/cut</I> or <I>lj/class2/coul/long</I>
 <LI>args = list of arguments for a particular style 
 </UL>
 <PRE>  <I>lj/class2</I> args = cutoff
@@ -38,7 +38,6 @@
 <P><B>Examples:</B>
 </P>
 <PRE>pair_style lj/class2 10.0
-pair_style lj/class2/gpu 10.0
 pair_coeff * * 100.0 2.5
 pair_coeff 1 2* 100.0 2.5 9.0 
 </PRE>
@@ -49,7 +48,6 @@ pair_coeff 1 1 100.0 3.5 9.0
 pair_coeff 1 1 100.0 3.5 9.0 9.0 
 </PRE>
 <PRE>pair_style lj/class2/coul/long 10.0
-pair_style lj/class2/coul/long/gpu 10.0
 pair_style lj/class2/coul/long 10.0 8.0
 pair_coeff * * 100.0 3.0
 pair_coeff 1 1 100.0 3.5 9.0 
@@ -62,16 +60,10 @@ pair_coeff 1 1 100.0 3.5 9.0
 </CENTER>
 <P>Rc is the cutoff.
 </P>
-<P>Style <I>lj/class2/gpu</I> is a GPU-enabled version of style <I>lj/class2</I>.
-See more details below.
-</P>
 <P>The <I>lj/class2/coul/cut</I> and <I>lj/class2/coul/long</I> styles add a
 Coulombic term as described for the <A HREF = "pair_lj.html">lj/cut</A> pair
 styles.
 </P>
-<P>Style <I>lj/class2/coul/long/gpu</I> is a GPU-enabled version of style
-<I>lj/class2/coul/long</I>.  See more details below.
-</P>
 <P>See <A HREF = "#Sun">(Sun)</A> for a description of the COMPASS class2 force field.
 </P>
 <P>The following coefficients must be defined for each pair of atoms
@@ -110,18 +102,25 @@ cutoff distance.
 </P>
 <HR>
 
-<P>The styles with a <I>gpu</I> suffix are identical to the corresponding
+<P>Styles with a <I>cuda</I>, <I>gpu</I>, or <I>opt</I> suffix are functionally the same
-styles without the suffix, except that each processor off-loads its
+as the corresponding style without the suffix.  They have been
-pairwise calculations to a GPU.  Depending on the hardware available
+optimized to run faster, depending on your available hardware, as
-on your system this can provide a speed-up.  See <A HREF = "doc/Section_accerate.html">this
+discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
-section</A> of the manual for more details.
+The accelerated styles take the same arguments and should produce the
+same results, except for round-off and precision issues.
 </P>
-<P>Additional requirements in your input script to run the styles with a
+<P>These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-<I>gpu</I> suffix are as follows:
+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>The <A HREF = "newton.html">newton pair</A> setting must be <I>off</I> and the <A HREF = "fix_gpu.html">fix
+<P>You can specify the accelerated styles explicitly in your input script
-gpu</A> command must be used.  The fix controls the GPU
+by including their suffix, or you can use the <A HREF = "Section_start.html#2_6">-suffix command-line
-selection and initialization steps.
+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>
 <P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
 </P>
@@ -155,11 +154,9 @@ support the <I>inner</I>, <I>middle</I>, <I>outer</I> keywords.
 </P>
 <P><B>Restrictions:</B>
 </P>
-<P>All of these pair styles, except those ending in "gpu", are part of
+<P>These styles are part of the "class2" package.  They are only enabled
-the "class2" package.  They are only enabled if LAMMPS was built with
+if LAMMPS was built with that package.  See the <A HREF = "Section_start.html#2_3">Making
-that package.  The styles with a <I>gpu</I> suffix are part of the "gpu"
+LAMMPS</A> section for more info.
-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><B>Related commands:</B>
 </P>

doc/pair_class2.txt

@@ -16,7 +16,7 @@ pair_style lj/class2/coul/long/gpu command :h3
 
 pair_style style args :pre
 
-style = {lj/class2} or {lj/class2/gpu} or {lj/class2/coul/cut} or {lj/class2/coul/long} or {lj/class2/coul/long/gpu}
+style = {lj/class2} or {lj/class2/coul/cut} or {lj/class2/coul/long}
 args = list of arguments for a particular style :ul
   {lj/class2} args = cutoff
     cutoff = global cutoff for class 2 interactions (distance units)
@@ -30,7 +30,6 @@ args = list of arguments for a particular style :ul
 [Examples:]
 
 pair_style lj/class2 10.0
-pair_style lj/class2/gpu 10.0
 pair_coeff * * 100.0 2.5
 pair_coeff 1 2* 100.0 2.5 9.0 :pre
 
@@ -41,7 +40,6 @@ pair_coeff 1 1 100.0 3.5 9.0
 pair_coeff 1 1 100.0 3.5 9.0 9.0 :pre
 
 pair_style lj/class2/coul/long 10.0
-pair_style lj/class2/coul/long/gpu 10.0
 pair_style lj/class2/coul/long 10.0 8.0
 pair_coeff * * 100.0 3.0
 pair_coeff 1 1 100.0 3.5 9.0 :pre
@@ -54,16 +52,10 @@ The {lj/class2} styles compute a 6/9 Lennard-Jones potential given by
 
 Rc is the cutoff.
 
-Style {lj/class2/gpu} is a GPU-enabled version of style {lj/class2}.
-See more details below.
-
 The {lj/class2/coul/cut} and {lj/class2/coul/long} styles add a
 Coulombic term as described for the "lj/cut"_pair_lj.html pair
 styles.
 
-Style {lj/class2/coul/long/gpu} is a GPU-enabled version of style
-{lj/class2/coul/long}.  See more details below.
-
 See "(Sun)"_#Sun for a description of the COMPASS class2 force field.
 
 The following coefficients must be defined for each pair of atoms
@@ -102,18 +94,25 @@ cutoff distance.
 
 :line
 
-The styles with a {gpu} suffix are identical to the corresponding
+Styles with a {cuda}, {gpu}, or {opt} suffix are functionally the same
-styles without the suffix, except that each processor off-loads its
+as the corresponding style without the suffix.  They have been
-pairwise calculations to a GPU.  Depending on the hardware available
+optimized to run faster, depending on your available hardware, as
-on your system this can provide a speed-up.  See "this
+discussed in "this section"_Section_accelerate.html of the manual.
-section"_doc/Section_accerate.html of the manual for more details.
+The accelerated styles take the same arguments and should produce the
+same results, except for round-off and precision issues.
 
-Additional requirements in your input script to run the styles with a
+These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-{gpu} suffix are as follows:
+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.
 
-The "newton pair"_newton.html setting must be {off} and the "fix
+You can specify the accelerated styles explicitly in your input script
-gpu"_fix_gpu.html command must be used.  The fix controls the GPU
+by including their suffix, or you can use the "-suffix command-line
-selection and initialization steps.
+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.
 
 [Mixing, shift, table, tail correction, restart, rRESPA info]:
 
@@ -147,11 +146,9 @@ support the {inner}, {middle}, {outer} keywords.
 
 [Restrictions:]
 
-All of these pair styles, except those ending in "gpu", are part of
+These styles are part of the "class2" package.  They are only enabled
-the "class2" package.  They are only enabled if LAMMPS was built with
+if LAMMPS was built with that package.  See the "Making
-that package.  The styles with a {gpu} suffix are part of the "gpu"
+LAMMPS"_Section_start.html#2_3 section for more info.
-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.
 
 [Related commands:]
 

doc/pair_cmm.html

@@ -23,13 +23,11 @@
 </P>
 <PRE>pair_style style args 
 </PRE>
-<UL><LI>style = <I>cg/cmm</I> or <I>cg/cmm/gpu</I> or <I>cg/cmm/coul/cut</I> or <I>cg/cmm/coul/long</I> or <I>cg/cmm/coul/long/gpu</I>
+<UL><LI>style = <I>cg/cmm</I> or <I>cg/cmm/coul/cut</I> or <I>cg/cmm/coul/long</I>
 <LI>args = list of arguments for a particular style 
 </UL>
 <PRE>  <I>cg/cmm</I> args = cutoff
     cutoff = global cutoff for Lennard Jones interactions (distance units)
-  <I>cg/cmm/gpu</I> args = cutoff
-    cutoff = global cutoff for Lennard Jones interactions (distance units)
   <I>cg/cmm/coul/cut</I> args = cutoff (cutoff2) (kappa)
     cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
     cutoff2 = global cutoff for Coulombic (optional) (distance units)
@@ -38,10 +36,6 @@
     cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
     cutoff2 = global cutoff for Coulombic (optional) (distance units) 
 </PRE>
-<PRE>  <I>cg/cmm/coul/long/gpu</I> args = cutoff (cutoff2)
-    cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
-    cutoff2 = global cutoff for Coulombic (optional) (distance units) 
-</PRE>
 <P><B>Examples:</B>
 </P>
 <PRE>pair_style cg/cmm 2.5
@@ -65,9 +59,6 @@ given by
 <P>as required for the CMM Coarse-grained MD parametrization discussed in
 <A HREF = "#Shinoda">(Shinoda)</A> and <A HREF = "#DeVane">(DeVane)</A>.  Rc is the cutoff.
 </P>
-<P>Style <I>cg/cmm/gpu</I> is a GPU-enabled version of style <I>cg/cmm</I>.  See
-more details below.
-</P>
 <P>Style <I>cg/cmm/coul/cut</I> adds a Coulombic pairwise interaction given by
 </P>
 <CENTER><IMG SRC = "Eqs/pair_coulomb.jpg">
@@ -96,9 +87,6 @@ option.  The Coulombic cutoff specified for this style means that
 pairwise interactions within this distance are computed directly;
 interactions outside that distance are computed in reciprocal space.
 </P>
-<P>Style <I>cg/cmm/coul/long/gpu</I> is a GPU-enabled version of style
-<I>cg/cmm/coul/long</I>.  See more details below.
-</P>
 <P>The following coefficients must be defined for each pair of atoms
 types via the <A HREF = "pair_coeff.html">pair_coeff</A> command as in the examples
 above, or in the data file or restart files read by the
@@ -129,18 +117,25 @@ pair_style command.
 </P>
 <HR>
 
-<P>The styles with a <I>gpu</I> suffix are identical to the corresponding
+<P>Styles with a <I>cuda</I>, <I>gpu</I>, or <I>opt</I> suffix are functionally the same
-styles without the suffix, except that each processor off-loads its
+as the corresponding style without the suffix.  They have been
-pairwise calculations to a GPU.  Depending on the hardware available
+optimized to run faster, depending on your available hardware, as
-on your system this can provide a speed-up.  See <A HREF = "doc/Section_accerate.html">this
+discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
-section</A> of the manual for more details.
+The accelerated styles take the same arguments and should produce the
+same results, except for round-off and precision issues.
 </P>
-<P>Additional requirements in your input script to run the styles with a
+<P>These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-<I>gpu</I> suffix are as follows:
+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>The <A HREF = "newton.html">newton pair</A> setting must be <I>off</I> and the <A HREF = "fix_gpu.html">fix
+<P>You can specify the accelerated styles explicitly in your input script
-gpu</A> command must be used.  The fix controls the GPU
+by including their suffix, or you can use the <A HREF = "Section_start.html#2_6">-suffix command-line
-selection and initialization steps.
+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>
 
@@ -175,12 +170,10 @@ See the <A HREF = "run_style.html">run_style</A> command for details.
 
 <P><B>Restrictions:</B>
 </P>
-<P>All of the cg/cmm pair styles are part of the "user-cg-cmm"
+<P>All of the cg/cmm pair styles are part of the "user-cg-cmm" package.
-package. They are only enabled if LAMMPS was built with that package.
 The <I>cg/cmm/coul/long</I> style also requires the "kspace" package to be
-built (which is enabled by default).  The styles with a <I>gpu</I> suffix
+built (which is enabled by default).  They are only enabled if LAMMPS
-are part of the "gpu" package.  They are only enabled if LAMMPS was
+was built with that package.  See the <A HREF = "Section_start.html#2_3">Making
-built with that package.  See the <A HREF = "Section_start.html#2_3">Making
 LAMMPS</A> section for more info.
 </P>
 <P><B>Related commands:</B>

doc/pair_cmm.txt

@@ -16,12 +16,10 @@ pair_style cg/cmm/coul/long/gpu command :h3
 
 pair_style style args :pre
 
-style = {cg/cmm} or {cg/cmm/gpu} or {cg/cmm/coul/cut} or {cg/cmm/coul/long} or {cg/cmm/coul/long/gpu}
+style = {cg/cmm} or {cg/cmm/coul/cut} or {cg/cmm/coul/long}
 args = list of arguments for a particular style :ul
   {cg/cmm} args = cutoff
     cutoff = global cutoff for Lennard Jones interactions (distance units)
-  {cg/cmm/gpu} args = cutoff
-    cutoff = global cutoff for Lennard Jones interactions (distance units)
   {cg/cmm/coul/cut} args = cutoff (cutoff2) (kappa)
     cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
     cutoff2 = global cutoff for Coulombic (optional) (distance units)
@@ -29,9 +27,6 @@ args = list of arguments for a particular style :ul
   {cg/cmm/coul/long} args = cutoff (cutoff2)
     cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
     cutoff2 = global cutoff for Coulombic (optional) (distance units) :pre
-  {cg/cmm/coul/long/gpu} args = cutoff (cutoff2)
-    cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
-    cutoff2 = global cutoff for Coulombic (optional) (distance units) :pre
 
 [Examples:]
 
@@ -56,9 +51,6 @@ given by
 as required for the CMM Coarse-grained MD parametrization discussed in
 "(Shinoda)"_#Shinoda and "(DeVane)"_#DeVane.  Rc is the cutoff.
 
-Style {cg/cmm/gpu} is a GPU-enabled version of style {cg/cmm}.  See
-more details below.
-
 Style {cg/cmm/coul/cut} adds a Coulombic pairwise interaction given by
 
 :c,image(Eqs/pair_coulomb.jpg)
@@ -87,9 +79,6 @@ option.  The Coulombic cutoff specified for this style means that
 pairwise interactions within this distance are computed directly;
 interactions outside that distance are computed in reciprocal space.
 
-Style {cg/cmm/coul/long/gpu} is a GPU-enabled version of style
-{cg/cmm/coul/long}.  See more details below.
-
 The following coefficients must be defined for each pair of atoms
 types via the "pair_coeff"_pair_coeff.html command as in the examples
 above, or in the data file or restart files read by the
@@ -120,18 +109,25 @@ pair_style command.
 
 :line
 
-The styles with a {gpu} suffix are identical to the corresponding
+Styles with a {cuda}, {gpu}, or {opt} suffix are functionally the same
-styles without the suffix, except that each processor off-loads its
+as the corresponding style without the suffix.  They have been
-pairwise calculations to a GPU.  Depending on the hardware available
+optimized to run faster, depending on your available hardware, as
-on your system this can provide a speed-up.  See "this
+discussed in "this section"_Section_accelerate.html of the manual.
-section"_doc/Section_accerate.html of the manual for more details.
+The accelerated styles take the same arguments and should produce the
+same results, except for round-off and precision issues.
 
-Additional requirements in your input script to run the styles with a
+These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-{gpu} suffix are as follows:
+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.
 
-The "newton pair"_newton.html setting must be {off} and the "fix
+You can specify the accelerated styles explicitly in your input script
-gpu"_fix_gpu.html command must be used.  The fix controls the GPU
+by including their suffix, or you can use the "-suffix command-line
-selection and initialization steps.
+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
 
@@ -166,12 +162,10 @@ See the "run_style"_run_style.html command for details.
 
 [Restrictions:]
 
-All of the cg/cmm pair styles are part of the "user-cg-cmm"
+All of the cg/cmm pair styles are part of the "user-cg-cmm" package.
-package. They are only enabled if LAMMPS was built with that package.
 The {cg/cmm/coul/long} style also requires the "kspace" package to be
-built (which is enabled by default).  The styles with a {gpu} suffix
+built (which is enabled by default).  They are only enabled if LAMMPS
-are part of the "gpu" package.  They are only enabled if LAMMPS was
+was built with that package.  See the "Making
-built with that package.  See the "Making
 LAMMPS"_Section_start.html#2_3 section for more info.
 
 [Related commands:]

doc/pair_eam.html

@@ -27,24 +27,21 @@
 </P>
 <PRE>pair_style style 
 </PRE>
-<UL><LI>style = <I>eam</I> or <I>eam/alloy</I> or <I>eam/cd</I> or <I>eam/fs</I> or <I>eam/opt</I> or <I>eam/alloy/opt</I> or <I>eam/fs/opt</I> 
+<UL><LI>style = <I>eam</I> or <I>eam/alloy</I> or <I>eam/cd</I> or <I>eam/fs</I> 
 </UL>
 <P><B>Examples:</B>
 </P>
 <PRE>pair_style eam
-pair_style eam/opt
 pair_coeff * * cuu3
 pair_coeff 1*3 1*3 niu3.eam 
 </PRE>
 <PRE>pair_style eam/alloy
-pair_style eam/alloy/opt
 pair_coeff * * ../potentials/NiAlH_jea.eam.alloy Ni Al Ni Ni 
 </PRE>
 <PRE>pair_style eam/cd
 pair_coeff * * ../potentials/FeCr.cdeam Fe Cr 
 </PRE>
 <PRE>pair_style eam/fs
-pair_style eam/fs/opt
 pair_coeff * * NiAlH_jea.eam.fs Ni Al Ni Ni 
 </PRE>
 <P><B>Description:</B>
@@ -62,9 +59,6 @@ nature of the EAM potential is a result of the embedding energy term.
 Both summations in the formula are over all neighbors J of atom I
 within the cutoff distance.
 </P>
-<P>Style (eam/opt</I> is an optimized version of style <I>eam</I>.  See
-more details below.
-</P>
 <P>The cutoff distance and the tabulated values of the functionals F,
 rho, and phi are listed in one or more files which are specified by
 the <A HREF = "pair_coeff.html">pair_coeff</A> command.  These are ASCII text files
@@ -183,9 +177,6 @@ above, <I>setfl</I> files contain explicit tabulated values for alloy
 interactions.  Thus they allow more generality than <I>funcfl</I> files for
 modeling alloys.
 </P>
-<P>Style (eam/alloy/opt</I> is an optimized version of style <I>eam/alloy</I>.
-See more details below.
-</P>
 <P>For style <I>eam/alloy</I>, potential values are read from a file that is
 in the DYNAMO multi-element <I>setfl</I> format, except that element names
 (Ni, Cu, etc) are added to one of the lines in the file.  If the
@@ -306,9 +297,6 @@ so that different elements can contribute differently to the total
 electron density at an atomic site depending on the identity of the
 element at that atomic site.
 </P>
-<P>Style (eam/fs/opt</I> is an optimized version of style <I>eam/fs</I>.  See
-more details below.
-</P>
 <P>The associated <A HREF = "pair_coeff.html">pair_coeff</A> command for style <I>eam/fs</I>
 reads a DYNAMO <I>setfl</I> file that has been extended to include
 additional rho_alpha_beta arrays of tabulated values.  A discussion of
@@ -371,10 +359,25 @@ are listed.
 </P>
 <HR>
 
-<P>The styles with an <I>opt</I> suffix are identical to the corresponding
+<P>Styles with a <I>cuda</I>, <I>gpu</I>, or <I>opt</I> suffix are functionally the same
-styles without the suffix, except that it is written in an optimized
+as the corresponding style without the suffix.  They have been
-fashion for faster CPU execution.  See <A HREF = "doc/Section_accerate.html">this
+optimized to run faster, depending on your available hardware, as
-section</A> of the manual for more details.
+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>
 
@@ -401,11 +404,9 @@ an input script that reads a restart file.
 
 <P><B>Restrictions:</B>
 </P>
-<P>All of these styles except those ending in <I>opt</I> and the <I>eam/cd</I>
+<P>All of these styles except the <I>eam/cd</I> style are part of the
-style are part of the "manybody" package.  They are only enabled if
+"manybody" package.  They are only enabled if LAMMPS was built with
-LAMMPS was built with that package (which it is by default).  The
+that package (which it is by default).  See the <A HREF = "Section_start.html#2_3">Making
-styles with an <I>opt</I> suffix are part of the "opt" package.  They are
-only enabled if LAMMPS was built with that packages.  See the <A HREF = "Section_start.html#2_3">Making
 LAMMPS</A> section for more info.
 </P>
 <P>The <I>eam/cd</I> style is part of the "user-cd-eam" package and also

doc/pair_eam.txt

@@ -18,24 +18,21 @@ pair_style eam/fs/opt command :h3
 
 pair_style style :pre
 
-style = {eam} or {eam/alloy} or {eam/cd} or {eam/fs} or {eam/opt} or {eam/alloy/opt} or {eam/fs/opt} :ul
+style = {eam} or {eam/alloy} or {eam/cd} or {eam/fs} :ul
 
 [Examples:]
 
 pair_style eam
-pair_style eam/opt
 pair_coeff * * cuu3
 pair_coeff 1*3 1*3 niu3.eam :pre
 
 pair_style eam/alloy
-pair_style eam/alloy/opt
 pair_coeff * * ../potentials/NiAlH_jea.eam.alloy Ni Al Ni Ni :pre
 
 pair_style eam/cd
 pair_coeff * * ../potentials/FeCr.cdeam Fe Cr :pre
 
 pair_style eam/fs
-pair_style eam/fs/opt
 pair_coeff * * NiAlH_jea.eam.fs Ni Al Ni Ni :pre
 
 [Description:]
@@ -53,9 +50,6 @@ nature of the EAM potential is a result of the embedding energy term.
 Both summations in the formula are over all neighbors J of atom I
 within the cutoff distance.
 
-Style (eam/opt} is an optimized version of style {eam}.  See
-more details below.
-
 The cutoff distance and the tabulated values of the functionals F,
 rho, and phi are listed in one or more files which are specified by
 the "pair_coeff"_pair_coeff.html command.  These are ASCII text files
@@ -174,9 +168,6 @@ above, {setfl} files contain explicit tabulated values for alloy
 interactions.  Thus they allow more generality than {funcfl} files for
 modeling alloys.
 
-Style (eam/alloy/opt} is an optimized version of style {eam/alloy}.
-See more details below.
-
 For style {eam/alloy}, potential values are read from a file that is
 in the DYNAMO multi-element {setfl} format, except that element names
 (Ni, Cu, etc) are added to one of the lines in the file.  If the
@@ -297,9 +288,6 @@ so that different elements can contribute differently to the total
 electron density at an atomic site depending on the identity of the
 element at that atomic site.
 
-Style (eam/fs/opt} is an optimized version of style {eam/fs}.  See
-more details below.
-
 The associated "pair_coeff"_pair_coeff.html command for style {eam/fs}
 reads a DYNAMO {setfl} file that has been extended to include
 additional rho_alpha_beta arrays of tabulated values.  A discussion of
@@ -362,10 +350,25 @@ are listed.
 
 :line
 
-The styles with an {opt} suffix are identical to the corresponding
+Styles with a {cuda}, {gpu}, or {opt} suffix are functionally the same
-styles without the suffix, except that it is written in an optimized
+as the corresponding style without the suffix.  They have been
-fashion for faster CPU execution.  See "this
+optimized to run faster, depending on your available hardware, as
-section"_doc/Section_accerate.html of the manual for more details.
+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
 
@@ -392,11 +395,9 @@ The eam pair styles can only be used via the {pair} keyword of the
 
 [Restrictions:]
 
-All of these styles except those ending in {opt} and the {eam/cd}
+All of these styles except the {eam/cd} style are part of the
-style are part of the "manybody" package.  They are only enabled if
+"manybody" package.  They are only enabled if LAMMPS was built with
-LAMMPS was built with that package (which it is by default).  The
+that package (which it is by default).  See the "Making
-styles with an {opt} suffix are part of the "opt" package.  They are
-only enabled if LAMMPS was built with that packages.  See the "Making
 LAMMPS"_Section_start.html#2_3 section for more info.
 
 The {eam/cd} style is part of the "user-cd-eam" package and also

doc/pair_gayberne.html

@@ -17,10 +17,7 @@
 </P>
 <PRE>pair_style gayberne gamma upsilon mu cutoff 
 </PRE>
-<PRE>pair_style gayberne/gpu gamma upsilon mu cutoff 
+<UL><LI>gamma = shift for potential minimum (typically 1)
-</PRE>
-<UL><LI>style = <I>gayberne</I> or <I>gayberne/gpu</I>
-<LI>gamma = shift for potential minimum (typically 1)
 <LI>upsilon = exponent for eta orientation-dependent energy function
 <LI>mu = exponent for chi orientation-dependent energy function
 <LI>cutoff = global cutoff for interactions (distance units) 
@@ -28,7 +25,6 @@
 <P><B>Examples:</B>
 </P>
 <PRE>pair_style gayberne 1.0 1.0 1.0 10.0
-pair_style gayberne/gpu 1.0 1.0 1.0 10.0
 pair_coeff * * 1.0 1.7 1.7 3.4 3.4 1.0 1.0 1.0 
 </PRE>
 <P><B>Description:</B>
@@ -48,9 +44,6 @@ both particles are spherical, the formula reduces to the usual
 Lennard-Jones interaction (see details below for when Gay-Berne treats
 a particle as "spherical").
 </P>
-<P>Style <I>gayberne/gpu</I> is a GPU-enabled version of style <I>gayberne</I>.
-See more details below.
-</P>
 <P>For large uniform molecules it has been shown that the energy
 parameters are approximately representable in terms of local contact
 curvatures <A HREF = "#Everaers">(Everaers)</A>:
@@ -139,18 +132,25 @@ pair_coeff sigma to 1.0 as well.
 </P>
 <HR>
 
-<P>The styles with a <I>gpu</I> suffix are identical to the corresponding
+<P>Styles with a <I>cuda</I>, <I>gpu</I>, or <I>opt</I> suffix are functionally the same
-styles without the suffix, except that each processor off-loads its
+as the corresponding style without the suffix.  They have been
-pairwise calculations to a GPU.  Depending on the hardware available
+optimized to run faster, depending on your available hardware, as
-on your system this can provide a speed-up.  See <A HREF = "doc/Section_accerate.html">this
+discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
-section</A> of the manual for more details.
+The accelerated styles take the same arguments and should produce the
+same results, except for round-off and precision issues.
 </P>
-<P>Additional requirements in your input script to run the styles with a
+<P>These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-<I>gpu</I> suffix are as follows:
+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>The <A HREF = "newton.html">newton pair</A> setting must be <I>off</I> and the <A HREF = "fix_gpu.html">fix
+<P>You can specify the accelerated styles explicitly in your input script
-gpu</A> command must be used.  The fix controls the GPU
+by including their suffix, or you can use the <A HREF = "Section_start.html#2_6">-suffix command-line
-selection and initialization steps.
+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>
 
@@ -185,9 +185,8 @@ to be specified in an input script that reads a restart file.
 
 <P><B>Restrictions:</B>
 </P>
-<P>The <I>gayberne</I> style is part of the "asphere" package.  The styles
+<P>The <I>gayberne</I> style is part of the "asphere" package.  It is only
-with a <I>gpu</I> suffix are part of the "gpu" package.  They are only
+enabled if LAMMPS was built with that package.  See the <A HREF = "Section_start.html#2_3">Making
-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>These pair style require that atoms store torque and a quaternion to

doc/pair_gayberne.txt

@@ -12,9 +12,7 @@ pair_style gayberne/gpu command :h3
 [Syntax:]
 
 pair_style gayberne gamma upsilon mu cutoff :pre
-pair_style gayberne/gpu gamma upsilon mu cutoff :pre
 
-style = {gayberne} or {gayberne/gpu}
 gamma = shift for potential minimum (typically 1)
 upsilon = exponent for eta orientation-dependent energy function
 mu = exponent for chi orientation-dependent energy function
@@ -23,7 +21,6 @@ cutoff = global cutoff for interactions (distance units) :ul
 [Examples:]
 
 pair_style gayberne 1.0 1.0 1.0 10.0
-pair_style gayberne/gpu 1.0 1.0 1.0 10.0
 pair_coeff * * 1.0 1.7 1.7 3.4 3.4 1.0 1.0 1.0 :pre
 
 [Description:]
@@ -43,9 +40,6 @@ both particles are spherical, the formula reduces to the usual
 Lennard-Jones interaction (see details below for when Gay-Berne treats
 a particle as "spherical").
 
-Style {gayberne/gpu} is a GPU-enabled version of style {gayberne}.
-See more details below.
-
 For large uniform molecules it has been shown that the energy
 parameters are approximately representable in terms of local contact
 curvatures "(Everaers)"_#Everaers:
@@ -134,18 +128,25 @@ pair_coeff sigma to 1.0 as well.
 
 :line
 
-The styles with a {gpu} suffix are identical to the corresponding
+Styles with a {cuda}, {gpu}, or {opt} suffix are functionally the same
-styles without the suffix, except that each processor off-loads its
+as the corresponding style without the suffix.  They have been
-pairwise calculations to a GPU.  Depending on the hardware available
+optimized to run faster, depending on your available hardware, as
-on your system this can provide a speed-up.  See "this
+discussed in "this section"_Section_accelerate.html of the manual.
-section"_doc/Section_accerate.html of the manual for more details.
+The accelerated styles take the same arguments and should produce the
+same results, except for round-off and precision issues.
 
-Additional requirements in your input script to run the styles with a
+These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-{gpu} suffix are as follows:
+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.
 
-The "newton pair"_newton.html setting must be {off} and the "fix
+You can specify the accelerated styles explicitly in your input script
-gpu"_fix_gpu.html command must be used.  The fix controls the GPU
+by including their suffix, or you can use the "-suffix command-line
-selection and initialization steps.
+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
 
@@ -180,9 +181,8 @@ This pair style can only be used via the {pair} keyword of the
 
 [Restrictions:]
 
-The {gayberne} style is part of the "asphere" package.  The styles
+The {gayberne} style is part of the "asphere" package.  It is only
-with a {gpu} suffix are part of the "gpu" package.  They are only
+enabled if LAMMPS was built with that package.  See the "Making
-enabled if LAMMPS was built with those packages.  See the "Making
 LAMMPS"_Section_start.html#2_3 section for more info.
 
 These pair style require that atoms store torque and a quaternion to

doc/pair_lj.html

@@ -31,21 +31,14 @@
 </P>
 <PRE>pair_style style args 
 </PRE>
-<UL><LI>style = <I>lj/cut</I> or <I>lj/cut/gpu</I> or <I>lj/cut/opt</I> or <I>lj/cut/coul/cut</I>         or <I>lj/cut/coul/debye</I> or <I>lj/cut/coul/long</I> or <I>lj/cut/coul/long/tip4p</I>
+<UL><LI>style = <I>lj/cut</I> or <I>lj/cut/coul/cut</I> or <I>lj/cut/coul/debye</I> or <I>lj/cut/coul/long</I> or <I>lj/cut/coul/long/tip4p</I>
 <LI>args = list of arguments for a particular style 
 </UL>
 <PRE>  <I>lj/cut</I> args = cutoff
     cutoff = global cutoff for Lennard Jones interactions (distance units)
-  <I>lj/cut/gpu</I> args = cutoff
-    cutoff = global cutoff for Lennard Jones interactions (distance units)
-  <I>lj/cut/opt</I> args = cutoff
-    cutoff = global cutoff for Lennard Jones interactions (distance units)
   <I>lj/cut/coul/cut</I> args = cutoff (cutoff2)
     cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
     cutoff2 = global cutoff for Coulombic (optional) (distance units)
-  <I>lj/cut/coul/cut/gpu</I> args = cutoff (cutoff2)
-    cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
-    cutoff2 = global cutoff for Coulombic (optional) (distance units)
   <I>lj/cut/coul/debye</I> args = kappa cutoff (cutoff2)
     kappa = Debye length (inverse distance units)
     cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
@@ -53,9 +46,6 @@
   <I>lj/cut/coul/long</I> args = cutoff (cutoff2)
     cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
     cutoff2 = global cutoff for Coulombic (optional) (distance units)
-  <I>lj/cut/coul/long/gpu</I> args = cutoff (cutoff2)
-    cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
-    cutoff2 = global cutoff for Coulombic (optional) (distance units)
   <I>lj/cut/coul/long/tip4p</I> args = otype htype btype atype qdist cutoff (cutoff2)
     otype,htype = atom types for TIP4P O and H
     btype,atype = bond and angle types for TIP4P waters
@@ -66,13 +56,10 @@
 <P><B>Examples:</B>
 </P>
 <PRE>pair_style lj/cut 2.5
-pair_style lj/cut/gpu 2.5
-pair_style lj/cut/opt 2.5
 pair_coeff * * 1 1
 pair_coeff 1 1 1 1.1 2.8 
 </PRE>
 <PRE>pair_style lj/cut/coul/cut 10.0
-pair_style lj/cut/coul/cut/gpu 10.0
 pair_style lj/cut/coul/cut 10.0 8.0
 pair_coeff * * 100.0 3.0
 pair_coeff 1 1 100.0 3.5 9.0
@@ -85,7 +72,6 @@ pair_coeff 1 1 1.0 1.5 2.5
 pair_coeff 1 1 1.0 1.5 2.5 5.0 
 </PRE>
 <PRE>pair_style lj/cut/coul/long 10.0
-pair_style lj/cut/coul/long/gpu 10.0
 pair_style lj/cut/coul/long 10.0 8.0
 pair_coeff * * 100.0 3.0
 pair_coeff 1 1 100.0 3.5 9.0 
@@ -104,12 +90,6 @@ given by
 </CENTER>
 <P>Rc is the cutoff.
 </P>
-<P>Style <I>lj/cut/gpu</I> is a GPU-enabled version of style <I>lj/cut</I>.
-See more details below.
-</P>
-<P>Style <I>lj/cut/opt</I> is an optimized version of style <I>lj/cut</I>.  See
-more details below.
-</P>
 <P>Style <I>lj/cut/coul/cut</I> adds a Coulombic pairwise interaction given by
 </P>
 <CENTER><IMG SRC = "Eqs/pair_coulomb.jpg">
@@ -121,9 +101,6 @@ specified in the pair_style command, it is used for both the LJ and
 Coulombic terms.  If two cutoffs are specified, they are used as
 cutoffs for the LJ and Coulombic terms respectively.
 </P>
-<P>Style <I>lj/cut/coul/cut/gpu</I> is a GPU-enabled version of style
-<I>lj/cut/coul/cut</I>.  See more details below.
-</P>
 <P>Style <I>lj/cut/coul/debye</I> adds an additional exp() damping factor
 to the Coulombic term, given by
 </P>
@@ -140,9 +117,6 @@ option.  The Coulombic cutoff specified for this style means that
 pairwise interactions within this distance are computed directly;
 interactions outside that distance are computed in reciprocal space.
 </P>
-<P>Style <I>lj/cut/coul/long/gpu</I> is a GPU-enabled version of style
-<I>lj/cut/coul/long</I>.  See more details below.
-</P>
 <P>Style <I>lj/cut/coul/long/tip4p</I> implements the TIP4P water model of
 <A HREF = "#Jorgensen">(Jorgensen)</A>, which introduces a massless site located a
 short distance away from the oxygen atom along the bisector of the HOH
@@ -189,23 +163,25 @@ Coulombic cutoff specified in the pair_style command.
 </P>
 <HR>
 
-<P>The styles with an <I>opt</I> suffix are identical to the corresponding
+<P>Styles with a <I>cuda</I>, <I>gpu</I>, or <I>opt</I> suffix are functionally the same
-styles without the suffix, except that it is written in an optimized
+as the corresponding style without the suffix.  They have been
-fashion for faster CPU execution.  See <A HREF = "doc/Section_accerate.html">this
+optimized to run faster, depending on your available hardware, as
-section</A> of the manual for more details.
+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>The styles with a <I>gpu</I> suffix are identical to the corresponding
+<P>These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-styles without the suffix, except that each processor off-loads its
+packages respectively.  They are only enabled if LAMMPS was built with
-pairwise calculations to a GPU.  Depending on the hardware available
+those packages.  See the <A HREF = "Section_start.html#2_3">Making LAMMPS</A>
-on your system this can provide a speed-up.  See <A HREF = "doc/Section_accerate.html">this
+section for more info.
-section</A> of the manual for more details.
 </P>
-<P>Additional requirements in your input script to run the styles with a
+<P>You can specify the accelerated styles explicitly in your input script
-<I>gpu</I> suffix are as follows:
+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>The <A HREF = "newton.html">newton pair</A> setting must be <I>off</I> and the <A HREF = "fix_gpu.html">fix
+<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
-gpu</A> command must be used.  The fix controls the GPU
+instructions on how to use the accelerated styles effectively.
-selection and initialization steps.
 </P>
 <HR>
 
@@ -246,11 +222,10 @@ See the <A HREF = "run_style.html">run_style</A> command for details.
 <P><B>Restrictions:</B>
 </P>
 <P>The <I>lj/cut/coul/long</I> and <I>lj/cut/coul/long/tip4p</I> styles are part of
-the "kspace" package.  The styles with an <I>opt</I> or <I>gpu</I> suffix are
+the "kspace" package.  They are only enabled if LAMMPS was built with
-part of the "opt" or "gpu" packages.  They are only enabled if LAMMPS
+those packages.  See the <A HREF = "Section_start.html#2_3">Making LAMMPS</A>
-was built with those packages.  See the <A HREF = "Section_start.html#2_3">Making
+section for more info.  Note that the kspace package is installed by
-LAMMPS</A> section for more info.  Note that the
+default.
-kspace package is installed by default.
 </P>
 <P><B>Related commands:</B>
 </P>

doc/pair_lj.txt

@@ -20,21 +20,13 @@ pair_style lj/cut/coul/long/tip4p command :h3
 
 pair_style style args :pre
 
-style = {lj/cut} or {lj/cut/gpu} or {lj/cut/opt} or {lj/cut/coul/cut} \
+style = {lj/cut} or {lj/cut/coul/cut} or {lj/cut/coul/debye} or {lj/cut/coul/long} or {lj/cut/coul/long/tip4p}
-        or {lj/cut/coul/debye} or {lj/cut/coul/long} or {lj/cut/coul/long/tip4p}
 args = list of arguments for a particular style :ul
   {lj/cut} args = cutoff
     cutoff = global cutoff for Lennard Jones interactions (distance units)
-  {lj/cut/gpu} args = cutoff
-    cutoff = global cutoff for Lennard Jones interactions (distance units)
-  {lj/cut/opt} args = cutoff
-    cutoff = global cutoff for Lennard Jones interactions (distance units)
   {lj/cut/coul/cut} args = cutoff (cutoff2)
     cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
     cutoff2 = global cutoff for Coulombic (optional) (distance units)
-  {lj/cut/coul/cut/gpu} args = cutoff (cutoff2)
-    cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
-    cutoff2 = global cutoff for Coulombic (optional) (distance units)
   {lj/cut/coul/debye} args = kappa cutoff (cutoff2)
     kappa = Debye length (inverse distance units)
     cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
@@ -42,9 +34,6 @@ args = list of arguments for a particular style :ul
   {lj/cut/coul/long} args = cutoff (cutoff2)
     cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
     cutoff2 = global cutoff for Coulombic (optional) (distance units)
-  {lj/cut/coul/long/gpu} args = cutoff (cutoff2)
-    cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
-    cutoff2 = global cutoff for Coulombic (optional) (distance units)
   {lj/cut/coul/long/tip4p} args = otype htype btype atype qdist cutoff (cutoff2)
     otype,htype = atom types for TIP4P O and H
     btype,atype = bond and angle types for TIP4P waters
@@ -55,13 +44,10 @@ args = list of arguments for a particular style :ul
 [Examples:]
 
 pair_style lj/cut 2.5
-pair_style lj/cut/gpu 2.5
-pair_style lj/cut/opt 2.5
 pair_coeff * * 1 1
 pair_coeff 1 1 1 1.1 2.8 :pre
 
 pair_style lj/cut/coul/cut 10.0
-pair_style lj/cut/coul/cut/gpu 10.0
 pair_style lj/cut/coul/cut 10.0 8.0
 pair_coeff * * 100.0 3.0
 pair_coeff 1 1 100.0 3.5 9.0
@@ -74,7 +60,6 @@ pair_coeff 1 1 1.0 1.5 2.5
 pair_coeff 1 1 1.0 1.5 2.5 5.0 :pre
 
 pair_style lj/cut/coul/long 10.0
-pair_style lj/cut/coul/long/gpu 10.0
 pair_style lj/cut/coul/long 10.0 8.0
 pair_coeff * * 100.0 3.0
 pair_coeff 1 1 100.0 3.5 9.0 :pre
@@ -93,12 +78,6 @@ given by
 
 Rc is the cutoff.
 
-Style {lj/cut/gpu} is a GPU-enabled version of style {lj/cut}.
-See more details below.
-
-Style {lj/cut/opt} is an optimized version of style {lj/cut}.  See
-more details below.
-
 Style {lj/cut/coul/cut} adds a Coulombic pairwise interaction given by
 
 :c,image(Eqs/pair_coulomb.jpg)
@@ -110,9 +89,6 @@ specified in the pair_style command, it is used for both the LJ and
 Coulombic terms.  If two cutoffs are specified, they are used as
 cutoffs for the LJ and Coulombic terms respectively.
 
-Style {lj/cut/coul/cut/gpu} is a GPU-enabled version of style
-{lj/cut/coul/cut}.  See more details below.
-
 Style {lj/cut/coul/debye} adds an additional exp() damping factor
 to the Coulombic term, given by
 
@@ -129,9 +105,6 @@ option.  The Coulombic cutoff specified for this style means that
 pairwise interactions within this distance are computed directly;
 interactions outside that distance are computed in reciprocal space.
 
-Style {lj/cut/coul/long/gpu} is a GPU-enabled version of style
-{lj/cut/coul/long}.  See more details below.
-
 Style {lj/cut/coul/long/tip4p} implements the TIP4P water model of
 "(Jorgensen)"_#Jorgensen, which introduces a massless site located a
 short distance away from the oxygen atom along the bisector of the HOH
@@ -178,23 +151,25 @@ Coulombic cutoff specified in the pair_style command.
 
 :line
 
-The styles with an {opt} suffix are identical to the corresponding
+Styles with a {cuda}, {gpu}, or {opt} suffix are functionally the same
-styles without the suffix, except that it is written in an optimized
+as the corresponding style without the suffix.  They have been
-fashion for faster CPU execution.  See "this
+optimized to run faster, depending on your available hardware, as
-section"_doc/Section_accerate.html of the manual for more details.
+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.
 
-The styles with a {gpu} suffix are identical to the corresponding
+These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-styles without the suffix, except that each processor off-loads its
+packages respectively.  They are only enabled if LAMMPS was built with
-pairwise calculations to a GPU.  Depending on the hardware available
+those packages.  See the "Making LAMMPS"_Section_start.html#2_3
-on your system this can provide a speed-up.  See "this
+section for more info.
-section"_doc/Section_accerate.html of the manual for more details.
 
-Additional requirements in your input script to run the styles with a
+You can specify the accelerated styles explicitly in your input script
-{gpu} suffix are as follows:
+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.
 
-The "newton pair"_newton.html setting must be {off} and the "fix
+See "this section"_Section_accelerate.html of the manual for more
-gpu"_fix_gpu.html command must be used.  The fix controls the GPU
+instructions on how to use the accelerated styles effectively.
-selection and initialization steps.
 
 :line
 
@@ -235,11 +210,10 @@ See the "run_style"_run_style.html command for details.
 [Restrictions:]
 
 The {lj/cut/coul/long} and {lj/cut/coul/long/tip4p} styles are part of
-the "kspace" package.  The styles with an {opt} or {gpu} suffix are
+the "kspace" package.  They are only enabled if LAMMPS was built with
-part of the "opt" or "gpu" packages.  They are only enabled if LAMMPS
+those packages.  See the "Making LAMMPS"_Section_start.html#2_3
-was built with those packages.  See the "Making
+section for more info.  Note that the kspace package is installed by
-LAMMPS"_Section_start.html#2_3 section for more info.  Note that the
+default.
-kspace package is installed by default.
 
 [Related commands:]
 

doc/pair_lj96_cut.html

@@ -15,15 +15,13 @@
 </H3>
 <P><B>Syntax:</B>
 </P>
-<PRE>pair_style style cutoff 
+<PRE>pair_style lj96/cut cutoff 
 </PRE>
-<UL><LI>style = <I>lj96/cut</I> or <I>lj96/cut/gpu</I>
+<UL><LI>cutoff = global cutoff for lj96/cut interactions (distance units) 
-<LI>cutoff = global cutoff for lj96/cut interactions (distance units) 
 </UL>
 <P><B>Examples:</B>
 </P>
 <PRE>pair_style lj96/cut 2.5
-pair_style lj96/cut/gpu 2.5
 pair_coeff * * 1.0 1.0 4.0
 pair_coeff 1 1 1.0 1.0 
 </PRE>
@@ -36,9 +34,6 @@ of the standard 12/6 potential, given by
 </CENTER>
 <P>Rc is the cutoff.
 </P>
-<P>Style <I>lj96/cut/gpu</I> is a GPU-enabled version of style <I>lj96/cut</I>.
-See more details below.
-</P>
 <P>The following coefficients must be defined for each pair of atoms
 types via the <A HREF = "pair_coeff.html">pair_coeff</A> command as in the examples
 above, or in the data file or restart files read by the
@@ -54,18 +49,25 @@ cutoff specified in the pair_style command is used.
 </P>
 <HR>
 
-<P>The styles with a <I>gpu</I> suffix are identical to the corresponding
+<P>Styles with a <I>cuda</I>, <I>gpu</I>, or <I>opt</I> suffix are functionally the same
-styles without the suffix, except that each processor off-loads its
+as the corresponding style without the suffix.  They have been
-pairwise calculations to a GPU.  Depending on the hardware available
+optimized to run faster, depending on your available hardware, as
-on your system this can provide a speed-up.  See <A HREF = "doc/Section_accerate.html">this
+discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
-section</A> of the manual for more details.
+The accelerated styles take the same arguments and should produce the
+same results, except for round-off and precision issues.
 </P>
-<P>Additional requirements in your input script to run the styles with a
+<P>These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-<I>gpu</I> suffix are as follows:
+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>The <A HREF = "newton.html">newton pair</A> setting must be <I>off</I> and the <A HREF = "fix_gpu.html">fix
+<P>You can specify the accelerated styles explicitly in your input script
-gpu</A> command must be used.  The fix controls the GPU
+by including their suffix, or you can use the <A HREF = "Section_start.html#2_6">-suffix command-line
-selection and initialization steps.
+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>
 
@@ -98,11 +100,7 @@ details.
 </P>
 <HR>
 
-<P><B>Restrictions:</B>
+<P><B>Restrictions:</B> none
-</P>
-<P>The styles with a <I>gpu</I> suffix are part of the "gpu" package.  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><B>Related commands:</B>
 </P>

doc/pair_lj96_cut.txt

@@ -11,15 +11,13 @@ pair_style lj96/cut/gpu command :h3
 
 [Syntax:]
 
-pair_style style cutoff :pre
+pair_style lj96/cut cutoff :pre
 
-style = {lj96/cut} or {lj96/cut/gpu}
 cutoff = global cutoff for lj96/cut interactions (distance units) :ul
 
 [Examples:]
 
 pair_style lj96/cut 2.5
-pair_style lj96/cut/gpu 2.5
 pair_coeff * * 1.0 1.0 4.0
 pair_coeff 1 1 1.0 1.0 :pre
 
@@ -32,9 +30,6 @@ of the standard 12/6 potential, given by
 
 Rc is the cutoff.
 
-Style {lj96/cut/gpu} is a GPU-enabled version of style {lj96/cut}.
-See more details below.
-
 The following coefficients must be defined for each pair of atoms
 types via the "pair_coeff"_pair_coeff.html command as in the examples
 above, or in the data file or restart files read by the
@@ -50,18 +45,25 @@ cutoff specified in the pair_style command is used.
 
 :line
 
-The styles with a {gpu} suffix are identical to the corresponding
+Styles with a {cuda}, {gpu}, or {opt} suffix are functionally the same
-styles without the suffix, except that each processor off-loads its
+as the corresponding style without the suffix.  They have been
-pairwise calculations to a GPU.  Depending on the hardware available
+optimized to run faster, depending on your available hardware, as
-on your system this can provide a speed-up.  See "this
+discussed in "this section"_Section_accelerate.html of the manual.
-section"_doc/Section_accerate.html of the manual for more details.
+The accelerated styles take the same arguments and should produce the
+same results, except for round-off and precision issues.
 
-Additional requirements in your input script to run the styles with a
+These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-{gpu} suffix are as follows:
+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.
 
-The "newton pair"_newton.html setting must be {off} and the "fix
+You can specify the accelerated styles explicitly in your input script
-gpu"_fix_gpu.html command must be used.  The fix controls the GPU
+by including their suffix, or you can use the "-suffix command-line
-selection and initialization steps.
+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
 
@@ -94,11 +96,7 @@ details.
 
 :line
 
-[Restrictions:]
+[Restrictions:] none
-
-The styles with a {gpu} suffix are part of the "gpu" package.  They
-are only enabled if LAMMPS was built with those packages.  See the
-"Making LAMMPS"_Section_start.html#2_3 section for more info.
 
 [Related commands:]
 

doc/pair_lj_expand.html

@@ -17,8 +17,6 @@
 </P>
 <PRE>pair_style lj/expand cutoff 
 </PRE>
-<PRE>pair_style lj/expand/gpu cutoff 
-</PRE>
 <UL><LI>cutoff = global cutoff for lj/expand interactions (distance units) 
 </UL>
 <P><B>Examples:</B>
@@ -53,23 +51,27 @@ commands, or by mixing as described below:
 <P>The delta values can be positive or negative.  The last coefficient is
 optional.  If not specified, the global LJ cutoff is used.
 </P>
-<P>Style <I>lj/expand/gpu</I> is a GPU-enabled version of style <I>lj/expand</I>.
-See more details below.
-</P>
 <HR>
 
-<P>The styles with a <I>gpu</I> suffix are identical to the corresponding
+<P>Styles with a <I>cuda</I>, <I>gpu</I>, or <I>opt</I> suffix are functionally the same
-styles without the suffix, except that each processor off-loads its
+as the corresponding style without the suffix.  They have been
-pairwise calculations to a GPU.  Depending on the hardware available
+optimized to run faster, depending on your available hardware, as
-on your system this can provide a speed-up.  See <A HREF = "doc/Section_accerate.html">this
+discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
-section</A> of the manual for more details.
+The accelerated styles take the same arguments and should produce the
+same results, except for round-off and precision issues.
 </P>
-<P>Additional requirements in your input script to run the styles with a
+<P>These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-<I>gpu</I> suffix are as follows:
+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>The <A HREF = "newton.html">newton pair</A> setting must be <I>off</I> and the <A HREF = "fix_gpu.html">fix
+<P>You can specify the accelerated styles explicitly in your input script
-gpu</A> command must be used.  The fix controls the GPU
+by including their suffix, or you can use the <A HREF = "Section_start.html#2_6">-suffix command-line
-selection and initialization steps.
+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>
 
@@ -102,11 +104,7 @@ to be specified in an input script that reads a restart file.
 </P>
 <HR>
 
-<P><B>Restrictions:</B>
+<P><B>Restrictions:</B> none
-</P>
-<P>The styles with a <I>gpu</I> suffix are part of the "gpu" package.  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><B>Related commands:</B>
 </P>

doc/pair_lj_expand.txt

@@ -12,7 +12,6 @@ pair_style lj/expand/gpu command :h3
 [Syntax:]
 
 pair_style lj/expand cutoff :pre
-pair_style lj/expand/gpu cutoff :pre
 
 cutoff = global cutoff for lj/expand interactions (distance units) :ul
 
@@ -48,23 +47,27 @@ cutoff (distance units) :ul
 The delta values can be positive or negative.  The last coefficient is
 optional.  If not specified, the global LJ cutoff is used.
 
-Style {lj/expand/gpu} is a GPU-enabled version of style {lj/expand}.
-See more details below.
-
 :line
 
-The styles with a {gpu} suffix are identical to the corresponding
+Styles with a {cuda}, {gpu}, or {opt} suffix are functionally the same
-styles without the suffix, except that each processor off-loads its
+as the corresponding style without the suffix.  They have been
-pairwise calculations to a GPU.  Depending on the hardware available
+optimized to run faster, depending on your available hardware, as
-on your system this can provide a speed-up.  See "this
+discussed in "this section"_Section_accelerate.html of the manual.
-section"_doc/Section_accerate.html of the manual for more details.
+The accelerated styles take the same arguments and should produce the
+same results, except for round-off and precision issues.
 
-Additional requirements in your input script to run the styles with a
+These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-{gpu} suffix are as follows:
+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.
 
-The "newton pair"_newton.html setting must be {off} and the "fix
+You can specify the accelerated styles explicitly in your input script
-gpu"_fix_gpu.html command must be used.  The fix controls the GPU
+by including their suffix, or you can use the "-suffix command-line
-selection and initialization steps.
+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
 
@@ -97,11 +100,7 @@ This pair style can only be used via the {pair} keyword of the
 
 :line
 
-[Restrictions:]
+[Restrictions:] none
-
-The styles with a {gpu} suffix are part of the "gpu" package.  They
-are only enabled if LAMMPS was built with those packages.  See the
-"Making LAMMPS"_Section_start.html#2_3 section for more info.
 
 [Related commands:]
 

doc/pair_morse.html

@@ -19,16 +19,11 @@
 </P>
 <PRE>pair_style morse cutoff 
 </PRE>
-<PRE>pair_style morse/gpu cutoff 
-</PRE>
-<PRE>pair_style morse/opt cutoff 
-</PRE>
 <UL><LI>cutoff = global cutoff for Morse interactions (distance units) 
 </UL>
 <P><B>Examples:</B>
 </P>
 <PRE>pair_style morse 2.5
-pair_style morse/opt 2.5
 pair_coeff * * 100.0 2.0 1.5
 pair_coeff 1 1 100.0 2.0 1.5 3.0 
 </PRE>
@@ -54,31 +49,27 @@ commands:
 <P>The last coefficient is optional.  If not specified, the global morse
 cutoff is used.
 </P>
-<P>Style (morse/opt</I> is an optimized version of style <I>eam</I>.  See
-more details below.
-</P>
-<P>Style <I>morse/gpu</I> is a GPU-enabled version of style <I>morse</I>.
-See more details below.
-</P>
 <HR>
 
-<P>The styles with an <I>opt</I> suffix are identical to the corresponding
+<P>Styles with a <I>cuda</I>, <I>gpu</I>, or <I>opt</I> suffix are functionally the same
-styles without the suffix, except that it is written in an optimized
+as the corresponding style without the suffix.  They have been
-fashion for faster CPU execution.  See <A HREF = "doc/Section_accerate.html">this
+optimized to run faster, depending on your available hardware, as
-section</A> of the manual for more details.
+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>The styles with a <I>gpu</I> suffix are identical to the corresponding
+<P>These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-styles without the suffix, except that each processor off-loads its
+packages respectively.  They are only enabled if LAMMPS was built with
-pairwise calculations to a GPU.  Depending on the hardware available
+those packages.  See the <A HREF = "Section_start.html#2_3">Making LAMMPS</A>
-on your system this can provide a speed-up.  See <A HREF = "doc/Section_accerate.html">this
+section for more info.
-section</A> of the manual for more details.
 </P>
-<P>Additional requirements in your input script to run the styles with a
+<P>You can specify the accelerated styles explicitly in your input script
-<I>gpu</I> suffix are as follows:
+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>The <A HREF = "newton.html">newton pair</A> setting must be <I>off</I> and the <A HREF = "fix_gpu.html">fix
+<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
-gpu</A> command must be used.  The fix controls the GPU
+instructions on how to use the accelerated styles effectively.
-selection and initialization steps.
 </P>
 <HR>
 
@@ -107,12 +98,7 @@ to be specified in an input script that reads a restart file.
 </P>
 <HR>
 
-<P><B>Restrictions:</B>
+<P><B>Restrictions:</B> none
-</P>
-<P>The styles with an <I>opt</I> or <I>gpu</I> suffix are part of the "opt" or
-"gpu" packages.  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><B>Related commands:</B>
 </P>

doc/pair_morse.txt

@@ -13,15 +13,12 @@ pair_style morse/opt command :h3
 [Syntax:]
 
 pair_style morse cutoff :pre
-pair_style morse/gpu cutoff :pre
-pair_style morse/opt cutoff :pre
 
 cutoff = global cutoff for Morse interactions (distance units) :ul
 
 [Examples:]
 
 pair_style morse 2.5
-pair_style morse/opt 2.5
 pair_coeff * * 100.0 2.0 1.5
 pair_coeff 1 1 100.0 2.0 1.5 3.0 :pre
 
@@ -47,31 +44,27 @@ cutoff (distance units) :ul
 The last coefficient is optional.  If not specified, the global morse
 cutoff is used.
 
-Style (morse/opt} is an optimized version of style {eam}.  See
-more details below.
-
-Style {morse/gpu} is a GPU-enabled version of style {morse}.
-See more details below.
-
 :line
 
-The styles with an {opt} suffix are identical to the corresponding
+Styles with a {cuda}, {gpu}, or {opt} suffix are functionally the same
-styles without the suffix, except that it is written in an optimized
+as the corresponding style without the suffix.  They have been
-fashion for faster CPU execution.  See "this
+optimized to run faster, depending on your available hardware, as
-section"_doc/Section_accerate.html of the manual for more details.
+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.
 
-The styles with a {gpu} suffix are identical to the corresponding
+These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-styles without the suffix, except that each processor off-loads its
+packages respectively.  They are only enabled if LAMMPS was built with
-pairwise calculations to a GPU.  Depending on the hardware available
+those packages.  See the "Making LAMMPS"_Section_start.html#2_3
-on your system this can provide a speed-up.  See "this
+section for more info.
-section"_doc/Section_accerate.html of the manual for more details.
 
-Additional requirements in your input script to run the styles with a
+You can specify the accelerated styles explicitly in your input script
-{gpu} suffix are as follows:
+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.
 
-The "newton pair"_newton.html setting must be {off} and the "fix
+See "this section"_Section_accelerate.html of the manual for more
-gpu"_fix_gpu.html command must be used.  The fix controls the GPU
+instructions on how to use the accelerated styles effectively.
-selection and initialization steps.
 
 :line
 
@@ -100,12 +93,7 @@ These pair styles can only be used via the {pair} keyword of the
 
 :line
 
-[Restrictions:]
+[Restrictions:] none
-
-The styles with an {opt} or {gpu} suffix are part of the "opt" or
-"gpu" packages.  They are only enabled if LAMMPS was built with those
-packages.  See the "Making LAMMPS"_Section_start.html#2_3 section for
-more info.
 
 [Related commands:]
 

doc/pair_resquared.html

@@ -15,15 +15,13 @@
 </H3>
 <P><B>Syntax:</B>
 </P>
-<PRE>pair_style style cutoff 
+<PRE>pair_style resquared cutoff 
 </PRE>
-<UL><LI>style = <I>resquared</I> or <I>resquared/gpu</I>
+<UL><LI>cutoff = global cutoff for interactions (distance units) 
-<LI>cutoff = global cutoff for interactions (distance units) 
 </UL>
 <P><B>Examples:</B>
 </P>
 <PRE>pair_style resquared 10.0
-pair_style resquared/gpu 10.0
 pair_coeff * * 1.0 1.0 1.7 3.4 3.4 1.0 1.0 1.0 
 </PRE>
 <P><B>Description:</B>
@@ -36,9 +34,6 @@ of small spheres of size sigma.  LJ particles are a single sphere of
 size sigma.  The distinction is made to allow the pair style to make
 efficient calculations of ellipsoid/solvent interactions.
 </P>
-<P>Style <I>resquared/gpu</I> is a GPU-enabled version of style <I>resquared</I>.
-See more details below.
-</P>
 <P>Details for the equations used are given in the references below and
 in <A HREF = "PDF/pair_resquared_extra.pdf">this supplementary document</A>.
 </P>
@@ -150,18 +145,25 @@ specified in the pair_style command is used.
 </P>
 <HR>
 
-<P>The styles with a <I>gpu</I> suffix are identical to the corresponding
+<P>Styles with a <I>cuda</I>, <I>gpu</I>, or <I>opt</I> suffix are functionally the same
-styles without the suffix, except that each processor off-loads its
+as the corresponding style without the suffix.  They have been
-pairwise calculations to a GPU.  Depending on the hardware available
+optimized to run faster, depending on your available hardware, as
-on your system this can provide a speed-up.  See <A HREF = "doc/Section_accerate.html">this
+discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
-section</A> of the manual for more details.
+The accelerated styles take the same arguments and should produce the
+same results, except for round-off and precision issues.
 </P>
-<P>Additional requirements in your input script to run the styles with a
+<P>These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-<I>gpu</I> suffix are as follows:
+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>The <A HREF = "newton.html">newton pair</A> setting must be <I>off</I> and the <A HREF = "fix_gpu.html">fix
+<P>You can specify the accelerated styles explicitly in your input script
-gpu</A> command must be used.  The fix controls the GPU
+by including their suffix, or you can use the <A HREF = "Section_start.html#2_6">-suffix command-line
-selection and initialization steps.
+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>
 
@@ -203,9 +205,8 @@ command</A>.
 
 <P><B>Restrictions:</B>
 </P>
-<P>This style is part of the "asphere" package.  The styles with a <I>gpu</I>
+<P>This style is part of the "asphere" package.  It is only enabled if
-suffix are part of the "gpu" package.  They are only enabled if LAMMPS
+LAMMPS was built with that package.  See the <A HREF = "Section_start.html#2_3">Making
-was built with those packages.  See the <A HREF = "Section_start.html#2_3">Making
 LAMMPS</A> section for more info.
 </P>
 <P>This pair style requires that atoms be ellipsoids as defined by the

doc/pair_resquared.txt

@@ -11,15 +11,13 @@ pair_style resquared/gpu command :h3
 
 [Syntax:]
 
-pair_style style cutoff :pre
+pair_style resquared cutoff :pre
 
-style = {resquared} or {resquared/gpu}
 cutoff = global cutoff for interactions (distance units) :ul
 
 [Examples:]
 
 pair_style resquared 10.0
-pair_style resquared/gpu 10.0
 pair_coeff * * 1.0 1.0 1.7 3.4 3.4 1.0 1.0 1.0 :pre
 
 [Description:]
@@ -32,9 +30,6 @@ of small spheres of size sigma.  LJ particles are a single sphere of
 size sigma.  The distinction is made to allow the pair style to make
 efficient calculations of ellipsoid/solvent interactions.
 
-Style {resquared/gpu} is a GPU-enabled version of style {resquared}.
-See more details below.
-
 Details for the equations used are given in the references below and
 in "this supplementary document"_PDF/pair_resquared_extra.pdf.
 
@@ -146,18 +141,25 @@ specified in the pair_style command is used.
 
 :line
 
-The styles with a {gpu} suffix are identical to the corresponding
+Styles with a {cuda}, {gpu}, or {opt} suffix are functionally the same
-styles without the suffix, except that each processor off-loads its
+as the corresponding style without the suffix.  They have been
-pairwise calculations to a GPU.  Depending on the hardware available
+optimized to run faster, depending on your available hardware, as
-on your system this can provide a speed-up.  See "this
+discussed in "this section"_Section_accelerate.html of the manual.
-section"_doc/Section_accerate.html of the manual for more details.
+The accelerated styles take the same arguments and should produce the
+same results, except for round-off and precision issues.
 
-Additional requirements in your input script to run the styles with a
+These accelerated styles are part of the "user-cuda", "gpu", and "opt"
-{gpu} suffix are as follows:
+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.
 
-The "newton pair"_newton.html setting must be {off} and the "fix
+You can specify the accelerated styles explicitly in your input script
-gpu"_fix_gpu.html command must be used.  The fix controls the GPU
+by including their suffix, or you can use the "-suffix command-line
-selection and initialization steps.
+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
 
@@ -199,9 +201,8 @@ command"_run_style.html.
 
 [Restrictions:]
 
-This style is part of the "asphere" package.  The styles with a {gpu}
+This style is part of the "asphere" package.  It is only enabled if
-suffix are part of the "gpu" package.  They are only enabled if LAMMPS
+LAMMPS was built with that package.  See the "Making
-was built with those packages.  See the "Making
 LAMMPS"_Section_start.html#2_3 section for more info.
 
 This pair style requires that atoms be ellipsoids as defined by the