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sjplimp 2015-03-27 13:56:40 +00:00
parent f1acd4762f
commit 550b6b0a97
12 changed files with 54 additions and 27 deletions
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20
doc/Section_commands.html
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@ -491,20 +491,20 @@ KOKKOS, o = USER-OMP, t = OPT.
<TR ALIGN="center"><TD ><A HREF = "pair_none.html">none</A></TD><TD ><A HREF = "pair_hybrid.html">hybrid</A></TD><TD ><A HREF = "pair_hybrid.html">hybrid/overlay</A></TD><TD ><A HREF = "pair_adp.html">adp (o)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_airebo.html">airebo (o)</A></TD><TD ><A HREF = "pair_beck.html">beck (go)</A></TD><TD ><A HREF = "pair_body.html">body</A></TD><TD ><A HREF = "pair_bop.html">bop</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_born.html">born (go)</A></TD><TD ><A HREF = "pair_born.html">born/coul/long (cgo)</A></TD><TD ><A HREF = "pair_born.html">born/coul/msm (o)</A></TD><TD ><A HREF = "pair_born.html">born/coul/wolf (go)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_brownian.html">brownian (o)</A></TD><TD ><A HREF = "pair_brownian.html">brownian/poly (o)</A></TD><TD ><A HREF = "pair_buck.html">buck (cgko)</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut (cgo)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/coul/long (cgo)</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/msm (o)</A></TD><TD ><A HREF = "pair_buck_long.html">buck/long/coul/long (o)</A></TD><TD ><A HREF = "pair_colloid.html">colloid (go)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_comb.html">comb (o)</A></TD><TD ><A HREF = "pair_comb.html">comb3</A></TD><TD ><A HREF = "pair_coul.html">coul/cut (gko)</A></TD><TD ><A HREF = "pair_coul.html">coul/debye (go)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/dsf (gko)</A></TD><TD ><A HREF = "pair_coul.html">coul/long (go)</A></TD><TD ><A HREF = "pair_coul.html">coul/msm</A></TD><TD ><A HREF = "pair_coul.html">coul/streitz</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_brownian.html">brownian (o)</A></TD><TD ><A HREF = "pair_brownian.html">brownian/poly (o)</A></TD><TD ><A HREF = "pair_buck.html">buck (cgko)</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut (cgko)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/coul/long (cgko)</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/msm (o)</A></TD><TD ><A HREF = "pair_buck_long.html">buck/long/coul/long (o)</A></TD><TD ><A HREF = "pair_colloid.html">colloid (go)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_comb.html">comb (o)</A></TD><TD ><A HREF = "pair_comb.html">comb3</A></TD><TD ><A HREF = "pair_coul.html">coul/cut (gko)</A></TD><TD ><A HREF = "pair_coul.html">coul/debye (gko)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/dsf (gko)</A></TD><TD ><A HREF = "pair_coul.html">coul/long (gko)</A></TD><TD ><A HREF = "pair_coul.html">coul/msm</A></TD><TD ><A HREF = "pair_coul.html">coul/streitz</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/wolf (ko)</A></TD><TD ><A HREF = "pair_dpd.html">dpd (o)</A></TD><TD ><A HREF = "pair_dpd.html">dpd/tstat (o)</A></TD><TD ><A HREF = "pair_dsmc.html">dsmc</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam (cgkot)</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy (cgot)</A></TD><TD ><A HREF = "pair_eam.html">eam/fs (cgot)</A></TD><TD ><A HREF = "pair_eim.html">eim (o)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_gauss.html">gauss (go)</A></TD><TD ><A HREF = "pair_gayberne.html">gayberne (gio)</A></TD><TD ><A HREF = "pair_gran.html">gran/hertz/history (o)</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke (co)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_gran.html">gran/hooke/history (o)</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/lj (o)</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/morse (o)</A></TD><TD ><A HREF = "pair_kim.html">kim</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lcbop.html">lcbop</A></TD><TD ><A HREF = "pair_line_lj.html">line/lj (o)</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm (co)</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit (co)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long (cgio)</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/msm</A></TD><TD ><A HREF = "pair_class2.html">lj/class2 (cgo)</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut (co)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/long (cgo)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut (cgikot)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut (cgko)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye (cgo)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf (go)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long (cgikot)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/msm (go)</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/cut (go)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/cut (o)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long (ot)</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand (cgo)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_gromacs.html">lj/gromacs (cgo)</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs (co)</A></TD><TD ><A HREF = "pair_lj_long.html">lj/long/coul/long (o)</A></TD><TD ><A HREF = "pair_dipole.html">lj/long/dipole/long</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lcbop.html">lcbop</A></TD><TD ><A HREF = "pair_line_lj.html">line/lj (o)</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm (cko)</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit (cko)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long (cgiko)</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/msm</A></TD><TD ><A HREF = "pair_class2.html">lj/class2 (cgko)</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut (cko)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/long (cgko)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut (cgikot)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut (cgko)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye (cgko)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf (gko)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long (cgikot)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/msm (go)</A></TD><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/cut (go)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_dipole.html">lj/cut/dipole/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/cut (o)</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/tip4p/long (ot)</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand (cgko)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_gromacs.html">lj/gromacs (cgko)</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs (cko)</A></TD><TD ><A HREF = "pair_lj_long.html">lj/long/coul/long (o)</A></TD><TD ><A HREF = "pair_dipole.html">lj/long/dipole/long</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj_long.html">lj/long/tip4p/long</A></TD><TD ><A HREF = "pair_lj_smooth.html">lj/smooth (co)</A></TD><TD ><A HREF = "pair_lj_smooth_linear.html">lj/smooth/linear (o)</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut (cgo)</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lubricate.html">lubricate (o)</A></TD><TD ><A HREF = "pair_lubricate.html">lubricate/poly (o)</A></TD><TD ><A HREF = "pair_lubricateU.html">lubricateU</A></TD><TD ><A HREF = "pair_lubricateU.html">lubricateU/poly</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_meam.html">meam (o)</A></TD><TD ><A HREF = "pair_mie.html">mie/cut (o)</A></TD><TD ><A HREF = "pair_morse.html">morse (cgot)</A></TD><TD ><A HREF = "pair_nb3b_harmonic.html">nb3b/harmonic (o)</A></TD></TR>

30
doc/Section_commands.txt
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@ -751,17 +751,17 @@ KOKKOS, o = USER-OMP, t = OPT.
"brownian (o)"_pair_brownian.html,
"brownian/poly (o)"_pair_brownian.html,
"buck (cgko)"_pair_buck.html,
"buck/coul/cut (cgo)"_pair_buck.html,
"buck/coul/long (cgo)"_pair_buck.html,
"buck/coul/cut (cgko)"_pair_buck.html,
"buck/coul/long (cgko)"_pair_buck.html,
"buck/coul/msm (o)"_pair_buck.html,
"buck/long/coul/long (o)"_pair_buck_long.html,
"colloid (go)"_pair_colloid.html,
"comb (o)"_pair_comb.html,
"comb3"_pair_comb.html,
"coul/cut (gko)"_pair_coul.html,
"coul/debye (go)"_pair_coul.html,
"coul/debye (gko)"_pair_coul.html,
"coul/dsf (gko)"_pair_coul.html,
"coul/long (go)"_pair_coul.html,
"coul/long (gko)"_pair_coul.html,
"coul/msm"_pair_coul.html,
"coul/streitz"_pair_coul.html,
"coul/wolf (ko)"_pair_coul.html,
@ -782,26 +782,26 @@ KOKKOS, o = USER-OMP, t = OPT.
"kim"_pair_kim.html,
"lcbop"_pair_lcbop.html,
"line/lj (o)"_pair_line_lj.html,
"lj/charmm/coul/charmm (co)"_pair_charmm.html,
"lj/charmm/coul/charmm/implicit (co)"_pair_charmm.html,
"lj/charmm/coul/long (cgio)"_pair_charmm.html,
"lj/charmm/coul/charmm (cko)"_pair_charmm.html,
"lj/charmm/coul/charmm/implicit (cko)"_pair_charmm.html,
"lj/charmm/coul/long (cgiko)"_pair_charmm.html,
"lj/charmm/coul/msm"_pair_charmm.html,
"lj/class2 (cgo)"_pair_class2.html,
"lj/class2/coul/cut (co)"_pair_class2.html,
"lj/class2/coul/long (cgo)"_pair_class2.html,
"lj/class2 (cgko)"_pair_class2.html,
"lj/class2/coul/cut (cko)"_pair_class2.html,
"lj/class2/coul/long (cgko)"_pair_class2.html,
"lj/cut (cgikot)"_pair_lj.html,
"lj/cut/coul/cut (cgko)"_pair_lj.html,
"lj/cut/coul/debye (cgo)"_pair_lj.html,
"lj/cut/coul/dsf (go)"_pair_lj.html,
"lj/cut/coul/debye (cgko)"_pair_lj.html,
"lj/cut/coul/dsf (gko)"_pair_lj.html,
"lj/cut/coul/long (cgikot)"_pair_lj.html,
"lj/cut/coul/msm (go)"_pair_lj.html,
"lj/cut/dipole/cut (go)"_pair_dipole.html,
"lj/cut/dipole/long"_pair_dipole.html,
"lj/cut/tip4p/cut (o)"_pair_lj.html,
"lj/cut/tip4p/long (ot)"_pair_lj.html,
"lj/expand (cgo)"_pair_lj_expand.html,
"lj/gromacs (cgo)"_pair_gromacs.html,
"lj/gromacs/coul/gromacs (co)"_pair_gromacs.html,
"lj/expand (cgko)"_pair_lj_expand.html,
"lj/gromacs (cgko)"_pair_gromacs.html,
"lj/gromacs/coul/gromacs (cko)"_pair_gromacs.html,
"lj/long/coul/long (o)"_pair_lj_long.html,
"lj/long/dipole/long"_pair_dipole.html,
"lj/long/tip4p/long"_pair_lj_long.html,

2
doc/atom_style.html
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@ -26,7 +26,7 @@
template-ID = ID of molecule template specified in a separate <A HREF = "molecule.html">molecule</A> command
<I>hybrid</I> args = list of one or more sub-styles, each with their args
</PRE>
<LI>accelerated styles (with same args) = <I>angle/cuda</I> or <I>angle/kokkos</I> or <I>atomic/cuda</I> or <I>atomic/kokkos</I> or <I>bond/kokkos</I> or <I>charge/cuda</I> or <I>charge/kokkos</I> or <I>full/cuda</I> or <I>full/kokkos</I> or <I>molecular/kokkos</I>
<LI>accelerated styles (with same args) = <I>angle/cuda</I> or <I>angle/kk</I> or <I>atomic/cuda</I> or <I>atomic/kk</I> or <I>bond/kk</I> or <I>charge/cuda</I> or <I>charge/kk</I> or <I>full/cuda</I> or <I>full/kk</I> or <I>molecular/kk</I>
</UL>

2
doc/atom_style.txt
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@ -24,7 +24,7 @@ style = {angle} or {atomic} or {body} or {bond} or {charge} or {dipole} or \
template-ID = ID of molecule template specified in a separate "molecule"_molecule.html command
{hybrid} args = list of one or more sub-styles, each with their args :pre
accelerated styles (with same args) = {angle/cuda} or {angle/kokkos} or {atomic/cuda} or {atomic/kokkos} or {bond/kokkos} or {charge/cuda} or {charge/kokkos} or {full/cuda} or {full/kokkos} or {molecular/kokkos} :l
accelerated styles (with same args) = {angle/cuda} or {angle/kk} or {atomic/cuda} or {atomic/kk} or {bond/kk} or {charge/cuda} or {charge/kk} or {full/cuda} or {full/kk} or {molecular/kk} :l
:ule
[Examples:]

4
doc/pair_buck.html
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@ -25,6 +25,8 @@
</H3>
<H3>pair_style buck/coul/cut/gpu command
</H3>
<H3>pair_style buck/coul/cut/kk command
</H3>
<H3>pair_style buck/coul/cut/omp command
</H3>
<H3>pair_style buck/coul/long command
@ -33,6 +35,8 @@
</H3>
<H3>pair_style buck/coul/long/gpu command
</H3>
<H3>pair_style buck/coul/long/kk command
</H3>
<H3>pair_style buck/coul/long/omp command
</H3>
<H3>pair_style buck/coul/msm command

2
doc/pair_buck.txt
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@ -14,10 +14,12 @@ pair_style buck/omp command :h3
pair_style buck/coul/cut command :h3
pair_style buck/coul/cut/cuda command :h3
pair_style buck/coul/cut/gpu command :h3
pair_style buck/coul/cut/kk command :h3
pair_style buck/coul/cut/omp command :h3
pair_style buck/coul/long command :h3
pair_style buck/coul/long/cuda command :h3
pair_style buck/coul/long/gpu command :h3
pair_style buck/coul/long/kk command :h3
pair_style buck/coul/long/omp command :h3
pair_style buck/coul/msm command :h3
pair_style buck/coul/msm/omp command :h3

6
doc/pair_class2.html
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@ -15,12 +15,16 @@
</H3>
<H3>pair_style lj/class2/gpu command
</H3>
<H3>pair_style lj/class2/kk command
</H3>
<H3>pair_style lj/class2/omp 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/cut/kk command
</H3>
<H3>pair_style lj/class2/coul/cut/omp command
</H3>
<H3>pair_style lj/class2/coul/long command
@ -29,6 +33,8 @@
</H3>
<H3>pair_style lj/class2/coul/long/gpu command
</H3>
<H3>pair_style lj/class2/coul/long/kk command
</H3>
<H3>pair_style lj/class2/coul/long/omp command
</H3>
<P><B>Syntax:</B>

3
doc/pair_class2.txt
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@ -9,13 +9,16 @@
pair_style lj/class2 command :h3
pair_style lj/class2/cuda command :h3
pair_style lj/class2/gpu command :h3
pair_style lj/class2/kk command :h3
pair_style lj/class2/omp command :h3
pair_style lj/class2/coul/cut command :h3
pair_style lj/class2/coul/cut/cuda command :h3
pair_style lj/class2/coul/cut/kk command :h3
pair_style lj/class2/coul/cut/omp 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
pair_style lj/class2/coul/long/kk command :h3
pair_style lj/class2/coul/long/omp command :h3
[Syntax:]

4
doc/pair_coul.html
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@ -21,6 +21,8 @@
</H3>
<H3>pair_style coul/debye/gpu command
</H3>
<H3>pair_style coul/debye/kk command
</H3>
<H3>pair_style coul/debye/omp command
</H3>
<H3>pair_style coul/dsf command
@ -37,6 +39,8 @@
</H3>
<H3>pair_style coul/long/gpu command
</H3>
<H3>pair_style coul/long/kk command
</H3>
<H3>pair_style coul/msm command
</H3>
<H3>pair_style coul/msm/omp command

2
doc/pair_coul.txt
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@ -12,6 +12,7 @@ pair_style coul/cut/kk command :h3
pair_style coul/cut/omp command :h3
pair_style coul/debye command :h3
pair_style coul/debye/gpu command :h3
pair_style coul/debye/kk command :h3
pair_style coul/debye/omp command :h3
pair_style coul/dsf command :h3
pair_style coul/dsf/gpu command :h3
@ -20,6 +21,7 @@ pair_style coul/dsf/omp command :h3
pair_style coul/long command :h3
pair_style coul/long/omp command :h3
pair_style coul/long/gpu command :h3
pair_style coul/long/kk command :h3
pair_style coul/msm command :h3
pair_style coul/msm/omp command :h3
pair_style coul/streitz command :h3

4
doc/pair_lj.html
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@ -37,12 +37,16 @@
</H3>
<H3>pair_style lj/cut/coul/debye/gpu command
</H3>
<H3>pair_style lj/cut/coul/debye/kk command
</H3>
<H3>pair_style lj/cut/coul/debye/omp command
</H3>
<H3>pair_style lj/cut/coul/dsf command
</H3>
<H3>pair_style lj/cut/coul/dsf/gpu command
</H3>
<H3>pair_style lj/cut/coul/dsf/kk command
</H3>
<H3>pair_style lj/cut/coul/dsf/omp command
</H3>
<H3>pair_style lj/cut/coul/long command

2
doc/pair_lj.txt
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@ -20,9 +20,11 @@ pair_style lj/cut/coul/cut/omp command :h3
pair_style lj/cut/coul/debye command :h3
pair_style lj/cut/coul/debye/cuda command :h3
pair_style lj/cut/coul/debye/gpu command :h3
pair_style lj/cut/coul/debye/kk command :h3
pair_style lj/cut/coul/debye/omp command :h3
pair_style lj/cut/coul/dsf command :h3
pair_style lj/cut/coul/dsf/gpu command :h3
pair_style lj/cut/coul/dsf/kk command :h3
pair_style lj/cut/coul/dsf/omp command :h3
pair_style lj/cut/coul/long command :h3
pair_style lj/cut/coul/long/cuda command :h3