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sjplimp 2012-10-02 22:54:29 +00:00
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17
doc/Section_commands.html
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@ -460,7 +460,7 @@ package</A>.
<TR ALIGN="center"><TD ><A HREF = "pair_born.html">born/coul/long/gpu</A></TD><TD ><A HREF = "pair_born.html">born/coul/long/omp</A></TD><TD ><A HREF = "pair_born.html">born/coul/wolf/gpu</A></TD><TD ><A HREF = "pair_born.html">born/coul/wolf/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_born.html">born/coul/long/gpu</A></TD><TD ><A HREF = "pair_born.html">born/coul/long/omp</A></TD><TD ><A HREF = "pair_born.html">born/coul/wolf/gpu</A></TD><TD ><A HREF = "pair_born.html">born/coul/wolf/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_born.html">born/gpu</A></TD><TD ><A HREF = "pair_born.html">born/omp</A></TD><TD ><A HREF = "pair_brownian.html">brownian/omp</A></TD><TD ><A HREF = "pair_brownian.html">brownian/poly/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_born.html">born/gpu</A></TD><TD ><A HREF = "pair_born.html">born/omp</A></TD><TD ><A HREF = "pair_brownian.html">brownian/omp</A></TD><TD ><A HREF = "pair_brownian.html">brownian/poly/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/coul/cut/cuda</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut/gpu</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut/omp</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long/cuda</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/coul/cut/cuda</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut/gpu</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut/omp</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/coul/long/gpu</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long/omp</A></TD><TD ><A HREF = "pair_buck_coul.html">buck/coul/omp</A></TD><TD ><A HREF = "pair_buck.html">buck/cuda</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/coul/long/gpu</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long/omp</A></TD><TD ><A HREF = "pair_buck.html">buck/cuda</A></TD><TD ><A HREF = "pair_buck_disp.html">buck/disp/coul/long/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/gpu</A></TD><TD ><A HREF = "pair_buck.html">buck/omp</A></TD><TD ><A HREF = "pair_colloid.html">colloid/gpu</A></TD><TD ><A HREF = "pair_colloid.html">colloid/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/gpu</A></TD><TD ><A HREF = "pair_buck.html">buck/omp</A></TD><TD ><A HREF = "pair_colloid.html">colloid/gpu</A></TD><TD ><A HREF = "pair_colloid.html">colloid/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_comb.html">comb/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/cut/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/debye/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/dsf/gpu</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_comb.html">comb/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/cut/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/debye/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/dsf/gpu</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/long/gpu</A></TD><TD ><A HREF = "pair_coul.html">coul/long/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/wolf</A></TD><TD ><A HREF = "pair_dipole.html">dipole/cut/gpu</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/long/gpu</A></TD><TD ><A HREF = "pair_coul.html">coul/long/omp</A></TD><TD ><A HREF = "pair_coul.html">coul/wolf</A></TD><TD ><A HREF = "pair_dipole.html">dipole/cut/gpu</A></TD></TR>
@ -473,13 +473,14 @@ package</A>.
<TR ALIGN="center"><TD ><A HREF = "pair_gran.html">gran/hertz/history/omp</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/cuda</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/history/omp</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_gran.html">gran/hertz/history/omp</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/cuda</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/history/omp</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/lj/omp</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/morse/omp</A></TD><TD ><A HREF = "pair_line_lj.html">line/lj/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/cuda</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/lj/omp</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/morse/omp</A></TD><TD ><A HREF = "pair_line_lj.html">line/lj/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/cuda</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/cuda</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/gpu</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/opt</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/pppm/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/gpu</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/proxy/omp</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long/opt</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/gpu</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/pppm/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/pppm/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/gpu</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/gpu</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/pppm/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/omp</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long/proxy/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/omp</A></TD><TD ><A HREF = "pair_lj_coul.html">lj/coul/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/gpu</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/cuda</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/gpu</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/omp</A></TD><TD ><A HREF = "pair_lj_disp.html">lj/disp/coul/long/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/dsf/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/cuda</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/opt</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/tip4p/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/tip4p/opt</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/pppm/omp</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/gpu</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/proxy/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/opt</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/tip4p/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/proxy/tip4p/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/tip4p/opt</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/pppm/omp</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/pppm/tip4p/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/experimental/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/gpu</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/pppm/tip4p/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/experimental/cuda</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/gpu</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/opt</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/cuda</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/gpu</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/omp</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/opt</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/cuda</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand/gpu</A></TD></TR>
<TR ALIGN="center"><TD ><A HREF = "pair_lj_expand.html">lj/expand/omp</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/cuda</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/omp</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/cuda</A></TD></TR> <TR ALIGN="center"><TD ><A HREF = "pair_lj_expand.html">lj/expand/omp</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/cuda</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs/omp</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/cuda</A></TD></TR>

8
doc/Section_commands.txt
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@ -753,8 +753,8 @@ package"_Section_accelerate.html.
"buck/coul/long/cuda"_pair_buck.html, "buck/coul/long/cuda"_pair_buck.html,
"buck/coul/long/gpu"_pair_buck.html, "buck/coul/long/gpu"_pair_buck.html,
"buck/coul/long/omp"_pair_buck.html, "buck/coul/long/omp"_pair_buck.html,
"buck/coul/omp"_pair_buck_coul.html,
"buck/cuda"_pair_buck.html, "buck/cuda"_pair_buck.html,
"buck/disp/coul/long/omp"_pair_buck_disp.html,
"buck/gpu"_pair_buck.html, "buck/gpu"_pair_buck.html,
"buck/omp"_pair_buck.html, "buck/omp"_pair_buck.html,
"colloid/gpu"_pair_colloid.html, "colloid/gpu"_pair_colloid.html,
@ -805,6 +805,7 @@ package"_Section_accelerate.html.
"lj/charmm/coul/long/cuda"_pair_charmm.html, "lj/charmm/coul/long/cuda"_pair_charmm.html,
"lj/charmm/coul/long/gpu"_pair_charmm.html, "lj/charmm/coul/long/gpu"_pair_charmm.html,
"lj/charmm/coul/long/omp"_pair_charmm.html, "lj/charmm/coul/long/omp"_pair_charmm.html,
"lj/charmm/coul/long/proxy/omp"_pair_charmm.html,
"lj/charmm/coul/long/opt"_pair_charmm.html, "lj/charmm/coul/long/opt"_pair_charmm.html,
"lj/charmm/coul/pppm/omp"_pair_charmm.html, "lj/charmm/coul/pppm/omp"_pair_charmm.html,
"lj/class2/coul/cut/cuda"_pair_class2.html, "lj/class2/coul/cut/cuda"_pair_class2.html,
@ -813,10 +814,11 @@ package"_Section_accelerate.html.
"lj/class2/coul/long/gpu"_pair_class2.html, "lj/class2/coul/long/gpu"_pair_class2.html,
"lj/class2/coul/pppm/omp"_pair_class2.html, "lj/class2/coul/pppm/omp"_pair_class2.html,
"lj/class2/coul/long/omp"_pair_class2.html, "lj/class2/coul/long/omp"_pair_class2.html,
"lj/class2/coul/long/proxy/omp"_pair_class2.html,
"lj/class2/cuda"_pair_class2.html, "lj/class2/cuda"_pair_class2.html,
"lj/class2/gpu"_pair_class2.html, "lj/class2/gpu"_pair_class2.html,
"lj/class2/omp"_pair_class2.html, "lj/class2/omp"_pair_class2.html,
"lj/coul/omp"_pair_lj_coul.html, "lj/disp/coul/long/omp"_pair_lj_disp.html,
"lj/cut/coul/cut/cuda"_pair_lj.html, "lj/cut/coul/cut/cuda"_pair_lj.html,
"lj/cut/coul/cut/gpu"_pair_lj.html, "lj/cut/coul/cut/gpu"_pair_lj.html,
"lj/cut/coul/cut/omp"_pair_lj.html, "lj/cut/coul/cut/omp"_pair_lj.html,
@ -827,8 +829,10 @@ package"_Section_accelerate.html.
"lj/cut/coul/long/cuda"_pair_lj.html, "lj/cut/coul/long/cuda"_pair_lj.html,
"lj/cut/coul/long/gpu"_pair_lj.html, "lj/cut/coul/long/gpu"_pair_lj.html,
"lj/cut/coul/long/omp"_pair_lj.html, "lj/cut/coul/long/omp"_pair_lj.html,
"lj/cut/coul/long/proxy/omp"_pair_lj.html,
"lj/cut/coul/long/opt"_pair_lj.html, "lj/cut/coul/long/opt"_pair_lj.html,
"lj/cut/coul/long/tip4p/omp"_pair_lj.html, "lj/cut/coul/long/tip4p/omp"_pair_lj.html,
"lj/cut/coul/long/proxy/tip4p/omp"_pair_lj.html,
"lj/cut/coul/long/tip4p/opt"_pair_lj.html, "lj/cut/coul/long/tip4p/opt"_pair_lj.html,
"lj/cut/coul/pppm/omp"_pair_lj.html, "lj/cut/coul/pppm/omp"_pair_lj.html,
"lj/cut/coul/pppm/tip4p/omp"_pair_lj.html, "lj/cut/coul/pppm/tip4p/omp"_pair_lj.html,

21
doc/pair_buck_disp.html
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@ -9,13 +9,13 @@
<HR> <HR>
<H3>pair_style buck/coul command <H3>pair_style buck/disp/coul/long command
</H3> </H3>
<H3>pair_style buck/coul/omp command <H3>pair_style buck/disp/coul/long/omp command
</H3> </H3>
<P><B>Syntax:</B> <P><B>Syntax:</B>
</P> </P>
<PRE>pair_style buck/coul flag_buck flag_coul cutoff (cutoff2) <PRE>pair_style buck/disp/coul/long flag_buck flag_coul cutoff (cutoff2)
</PRE> </PRE>
<UL><LI>flag_buck = <I>long</I> or <I>cut</I> <UL><LI>flag_buck = <I>long</I> or <I>cut</I>
@ -33,16 +33,16 @@
</UL> </UL>
<P><B>Examples:</B> <P><B>Examples:</B>
</P> </P>
<PRE>pair_style buck/coul cut off 2.5 <PRE>pair_style buck/disp/coul/long cut off 2.5
pair_style buck/coul cut long 2.5 4.0 pair_style buck/disp/coul/long cut long 2.5 4.0
pair_style buck/coul long long 2.5 4.0 pair_style buck/disp/coul/long long long 2.5 4.0
pair_coeff * * 1 1 pair_coeff * * 1 1
pair_coeff 1 1 1 3 4 pair_coeff 1 1 1 3 4
</PRE> </PRE>
<P><B>Description:</B> <P><B>Description:</B>
</P> </P>
<P>The <I>buck/coul</I> style computes a Buckingham potential (exp/6 instead of <P>The <I>buck/disp/coul/long</I> style computes a Buckingham potential (exp/6
Lennard-Jones 12/6) and Coulombic potential, given by instead of Lennard-Jones 12/6) and Coulombic potential, given by
</P> </P>
<CENTER><IMG SRC = "Eqs/pair_buck.jpg"> <CENTER><IMG SRC = "Eqs/pair_buck.jpg">
</CENTER> </CENTER>
@ -158,9 +158,10 @@ details.
<P><B>Restrictions:</B> <P><B>Restrictions:</B>
</P> </P>
<P>This style is part of the USER-EWALDN package. It is only enabled if <P>This style is part of the KSPACE package. It is only enabled if
LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
LAMMPS</A> section for more info. LAMMPS</A> section for more info. Note that
the KSPACE package is installed by default.
</P> </P>
<P><B>Related commands:</B> <P><B>Related commands:</B>
</P> </P>

21
doc/pair_buck_disp.txt
View File

@ -6,12 +6,12 @@
:line :line
pair_style buck/coul command :h3 pair_style buck/disp/coul/long command :h3
pair_style buck/coul/omp command :h3 pair_style buck/disp/coul/long/omp command :h3
[Syntax:] [Syntax:]
pair_style buck/coul flag_buck flag_coul cutoff (cutoff2) :pre pair_style buck/disp/coul/long flag_buck flag_coul cutoff (cutoff2) :pre
flag_buck = {long} or {cut} :ulb,l flag_buck = {long} or {cut} :ulb,l
{long} = use Kspace long-range summation for the dispersion term 1/r^6 {long} = use Kspace long-range summation for the dispersion term 1/r^6
@ -24,16 +24,16 @@ cutoff2 = global cutoff for Coulombic (optional) (distance units) :l,ule
[Examples:] [Examples:]
pair_style buck/coul cut off 2.5 pair_style buck/disp/coul/long cut off 2.5
pair_style buck/coul cut long 2.5 4.0 pair_style buck/disp/coul/long cut long 2.5 4.0
pair_style buck/coul long long 2.5 4.0 pair_style buck/disp/coul/long long long 2.5 4.0
pair_coeff * * 1 1 pair_coeff * * 1 1
pair_coeff 1 1 1 3 4 :pre pair_coeff 1 1 1 3 4 :pre
[Description:] [Description:]
The {buck/coul} style computes a Buckingham potential (exp/6 instead of The {buck/disp/coul/long} style computes a Buckingham potential (exp/6
Lennard-Jones 12/6) and Coulombic potential, given by instead of Lennard-Jones 12/6) and Coulombic potential, given by
:c,image(Eqs/pair_buck.jpg) :c,image(Eqs/pair_buck.jpg)
@ -149,9 +149,10 @@ details.
[Restrictions:] [Restrictions:]
This style is part of the USER-EWALDN package. It is only enabled if This style is part of the KSPACE package. It is only enabled if
LAMMPS was built with that package. See the "Making LAMMPS was built with that package. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info. LAMMPS"_Section_start.html#start_3 section for more info. Note that
the KSPACE package is installed by default.
[Related commands:] [Related commands:]

19
doc/pair_lj_disp.html
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@ -9,13 +9,13 @@
<HR> <HR>
<H3>pair_style lj/coul command <H3>pair_style lj/disp/coul/long command
</H3> </H3>
<H3>pair_style lj/coul/omp command <H3>pair_style lj/disp/coul/long/omp command
</H3> </H3>
<P><B>Syntax:</B> <P><B>Syntax:</B>
</P> </P>
<PRE>pair_style lj/coul flag_lj flag_coul cutoff (cutoff2) <PRE>pair_style lj/disp/coul/long flag_lj flag_coul cutoff (cutoff2)
</PRE> </PRE>
<UL><LI>flag_lj = <I>long</I> or <I>cut</I> <UL><LI>flag_lj = <I>long</I> or <I>cut</I>
@ -33,15 +33,15 @@
</UL> </UL>
<P><B>Examples:</B> <P><B>Examples:</B>
</P> </P>
<PRE>pair_style lj/coul cut off 2.5 <PRE>pair_style lj/disp/coul/long cut off 2.5
pair_style lj/coul cut long 2.5 4.0 pair_style lj/disp/coul/long cut long 2.5 4.0
pair_style lj/coul long long 2.5 4.0 pair_style lj/disp/coul/long long long 2.5 4.0
pair_coeff * * 1 1 pair_coeff * * 1 1
pair_coeff 1 1 1 3 4 pair_coeff 1 1 1 3 4
</PRE> </PRE>
<P><B>Description:</B> <P><B>Description:</B>
</P> </P>
<P>The <I>lj/coul</I> style computes the standard 12/6 Lennard-Jones and <P>The <I>lj/disp/coul/long</I> style computes the standard 12/6 Lennard-Jones and
Coulombic potentials, given by Coulombic potentials, given by
</P> </P>
<CENTER><IMG SRC = "Eqs/pair_lj.jpg"> <CENTER><IMG SRC = "Eqs/pair_lj.jpg">
@ -162,9 +162,10 @@ details.
<P><B>Restrictions:</B> <P><B>Restrictions:</B>
</P> </P>
<P>This style is part of the USER-EWALDN package. It is only enabled if <P>This style is part of the KSPACE package. It is only enabled if
LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
LAMMPS</A> section for more info. LAMMPS</A> section for more info. Note that
the KSPACE package is installed by default.
</P> </P>
<P><B>Related commands:</B> <P><B>Related commands:</B>
</P> </P>

19
doc/pair_lj_disp.txt
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@ -6,12 +6,12 @@
:line :line
pair_style lj/coul command :h3 pair_style lj/disp/coul/long command :h3
pair_style lj/coul/omp command :h3 pair_style lj/disp/coul/long/omp command :h3
[Syntax:] [Syntax:]
pair_style lj/coul flag_lj flag_coul cutoff (cutoff2) :pre pair_style lj/disp/coul/long flag_lj flag_coul cutoff (cutoff2) :pre
flag_lj = {long} or {cut} :ulb,l flag_lj = {long} or {cut} :ulb,l
{long} = use Kspace long-range summation for the dispersion term 1/r^6 {long} = use Kspace long-range summation for the dispersion term 1/r^6
@ -24,15 +24,15 @@ cutoff2 = global cutoff for Coulombic (optional) (distance units) :l,ule
[Examples:] [Examples:]
pair_style lj/coul cut off 2.5 pair_style lj/disp/coul/long cut off 2.5
pair_style lj/coul cut long 2.5 4.0 pair_style lj/disp/coul/long cut long 2.5 4.0
pair_style lj/coul long long 2.5 4.0 pair_style lj/disp/coul/long long long 2.5 4.0
pair_coeff * * 1 1 pair_coeff * * 1 1
pair_coeff 1 1 1 3 4 :pre pair_coeff 1 1 1 3 4 :pre
[Description:] [Description:]
The {lj/coul} style computes the standard 12/6 Lennard-Jones and The {lj/disp/coul/long} style computes the standard 12/6 Lennard-Jones and
Coulombic potentials, given by Coulombic potentials, given by
:c,image(Eqs/pair_lj.jpg) :c,image(Eqs/pair_lj.jpg)
@ -153,9 +153,10 @@ details.
[Restrictions:] [Restrictions:]
This style is part of the USER-EWALDN package. It is only enabled if This style is part of the KSPACE package. It is only enabled if
LAMMPS was built with that package. See the "Making LAMMPS was built with that package. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info. LAMMPS"_Section_start.html#start_3 section for more info. Note that
the KSPACE package is installed by default.
[Related commands:] [Related commands:]