From b14753aae83e942795765235e8df308d97be93a6 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 7 Oct 2010 21:20:45 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5007 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/Eqs/pair_gauss.jpg | Bin 0 -> 1826 bytes doc/Eqs/pair_gauss.tex | 9 ++++ doc/Section_commands.html | 31 +++++++------- doc/Section_commands.txt | 2 + doc/pair_born.html | 87 ++++++++++++++++++++++---------------- doc/pair_born.txt | 85 +++++++++++++++++++++---------------- doc/pair_buck.html | 45 ++++++++++++-------- doc/pair_buck.txt | 45 ++++++++++++-------- doc/pair_coeff.html | 2 + doc/pair_coeff.txt | 2 + doc/pair_gauss.html | 84 ++++++++++++++++++++++++++++++++++++ doc/pair_gauss.txt | 79 ++++++++++++++++++++++++++++++++++ doc/pair_style.html | 2 + doc/pair_style.txt | 2 + 14 files changed, 352 insertions(+), 123 deletions(-) create mode 100644 doc/Eqs/pair_gauss.jpg create mode 100644 doc/Eqs/pair_gauss.tex create mode 100644 doc/pair_gauss.html create mode 100644 doc/pair_gauss.txt diff --git a/doc/Eqs/pair_gauss.jpg b/doc/Eqs/pair_gauss.jpg new file mode 100644 index 0000000000000000000000000000000000000000..c6c4b6a5227a549cbc35816c609299cf001df363 GIT binary patch literal 1826 zcmV+-2i^Gp*#F=F5K2Z#MgRc;0RTtG1Oo*G1Ox>I1qKHU2nPoT z2M-Gi2@DYr5)u&)5fKv>92XN58Wj-{7$F!M9UUJZ9}^cMBqAOp93CGY|G)qX2mmSo z(*Xey0RO}Q8~_0T0{{a70RR9100000000041qK2G2LTBG!~il700IF70s#X90R{&F z000000RjU61O*WW5+M^JF$WYuaTPK`QDK22G-h&>p~2(-+5iXv0RR9$0R5LrQk11B zN>Y@iDN0h5r722PcO=c?_~sVpHJZBnOns^uC!EI2BT@3ls3Z^TT~EmIaok!#F};QF zB@n=6u%0z%Adsb*00e-3NULg6s`H$K5rw_QS!8b(8=Sr0+E~S+T3LECkO24rP?Ar9 zLVH+oP5wl406657!;o=g< zGeSzgj>u$Qp|lRqkPh{sr722Ml%*@rKD#UAu$Vp}1gjj}k2z~--a8QtMBPku2=VFL zvY+>Um8i!H!H_WK<%Z(q-Mscbgk~_2EJ}rlF5j17t#7ykfi(7P%lJFrzzwqkSu{&nJiRPHWrX5yT-;~gSI zIeslH=8{Ol!)GMEkYyo@11GE9y{ql&t^1ohzo;CGC5_~KSC8Xjm^NlexY(a z#jU^8ZY3q$w`*_4;=Z-LRaKVUT>9{|ZP7yZQxTC)x9;=3SEb}`WyD%r!;ZjSV`Geg?PkQLM9>Iqu?yULBmYM_?LhX0s_6{$wS?HorhkWw{J@nZK@> zOFKCujy^eupCdC#5s?JfPv}G7GU)noU4LR~uJ12(kGA@Y$?mR`_Pz-|(o4H^9+0<+ z-|l0M6kx;DEjE}jW7)oR5k{%8Jli3HxwpCG*47tSmR94uHeHRZ-JH%4hXkuBja2sR zrCEXUI{nCT_JiqWTLF{1itIi%<`;W=Ww$_vHUK1Guw4y)Po1C6s^f*4 zV(%XW^7#HYjadHx*)?rSRzK%R$eUrS23BF4=l^Y8`NZl zE+Y?latEH#79NMd-?!HA!+j5m*5hpBu(L~8rMQ(>e*1~qS0wo)vl4&sel#l;g1+UM zo<+!Qt@9SqTH-R6w)-~f>g1#|T*3&^>LZh)x5#oyC$C!G(yDU2a}kuw+2yZco$qWz zi&;|YSp6>Jt7t0$vOE*5>br5cJa#`LbCI`>X1lqKBbI5dWSP1q%Bb$gs)EdPG&V{3 zs~S`eLx#t43_Z>xEep?MbcQ+NS)M;p2+>kdf)C-i(BFYso=?D#ajaGci`iPoWowwXzm^-j z`G8c8VIv66oQ5Z4Yp4Y8b)dT97#oZ>a~AfDV$Q(uWMpYtNoPll#zA)_hzdvp;C=;8 z`B>UvUjsqwMou#*Lkir zb%M0o44NA|iTeTQK;Vg7Z}_@)3!r_>yBgUS5Jemiq%j~!<4~xecu)p_u5_hDxyD%B zLr=wVf{NfCtt{K$H1-_%w>)+T#FlIgYIq~=6<{P%I9pyf0I;PGmTA#F-eg7 zOY7*PogXIKH#a`4qDJkp>|bj80bn$sXeb9!N>Y@iDN0h5r722Ml%*+3Qk11BN>Y@i QDN0h5r722Ml%;?F*=+<&2mk;8 literal 0 HcmV?d00001 diff --git a/doc/Eqs/pair_gauss.tex b/doc/Eqs/pair_gauss.tex new file mode 100644 index 0000000000..1821ae31d3 --- /dev/null +++ b/doc/Eqs/pair_gauss.tex @@ -0,0 +1,9 @@ +\documentclass[12pt]{article} + +\begin{document} + +$$ + E = A \exp(-B r^2) \qquad r < r_c +$$ + +\end{document} diff --git a/doc/Section_commands.html b/doc/Section_commands.html index 82252b721f..0945b4a55b 100644 --- a/doc/Section_commands.html +++ b/doc/Section_commands.html @@ -377,21 +377,22 @@ potentials. Click on the style itself for a full description:

- - - - - - - - - - - - - - - + + + + + + + + + + + + + + +
nonehybridhybrid/overlayairebo
born/coul/longbuckbuck/coul/cutbuck/coul/long
colloidcombcoul/cutcoul/debye
coul/longdipole/cutdpddpd/tstat
dsmceameam/opteam/alloy
eam/alloy/opteam/fseam/fs/opteim
gaybernegayberne/gpugran/hertz/historygran/hooke
gran/hooke/historylj/charmm/coul/charmmlj/charmm/coul/charmm/implicitlj/charmm/coul/long
lj/charmm/coul/long/optlj/class2lj/class2/coul/cutlj/class2/coul/long
lj/cutlj/cut/gpulj/cut/optlj/cut/coul/cut
lj/cut/coul/debyelj/cut/coul/longlj/cut/coul/long/tip4plj/expand
lj/gromacslj/gromacs/coul/gromacslj/smoothlj96/cut
lubricatemeammorsemorse/opt
peri/lpsperi/pmbreaxresquared
softswtabletersoff
tersoff/zblyukawayukawa/colloid +
bornborn/coul/longbuckbuck/coul/cut
buck/coul/longcolloidcombcoul/cut
coul/debyecoul/longdipole/cutdpd
dpd/tstatdsmceameam/opt
eam/alloyeam/alloy/opteam/fseam/fs/opt
eimgaussgaybernegayberne/gpu
gran/hertz/historygran/hookegran/hooke/historylj/charmm/coul/charmm
lj/charmm/coul/charmm/implicitlj/charmm/coul/longlj/charmm/coul/long/optlj/class2
lj/class2/coul/cutlj/class2/coul/longlj/cutlj/cut/gpu
lj/cut/optlj/cut/coul/cutlj/cut/coul/debyelj/cut/coul/long
lj/cut/coul/long/tip4plj/expandlj/gromacslj/gromacs/coul/gromacs
lj/smoothlj96/cutlubricatemeam
morsemorse/optperi/lpsperi/pmb
reaxresquaredsoftsw
tabletersofftersoff/zblyukawa
yukawa/colloid

These are pair styles contributed by users, which can be used if diff --git a/doc/Section_commands.txt b/doc/Section_commands.txt index 0397f0849f..af57e63cf6 100644 --- a/doc/Section_commands.txt +++ b/doc/Section_commands.txt @@ -549,6 +549,7 @@ potentials. Click on the style itself for a full description: "hybrid"_pair_hybrid.html, "hybrid/overlay"_pair_hybrid.html, "airebo"_pair_airebo.html, +"born"_pair_born.html, "born/coul/long"_pair_born.html, "buck"_pair_buck.html, "buck/coul/cut"_pair_buck.html, @@ -569,6 +570,7 @@ potentials. Click on the style itself for a full description: "eam/fs"_pair_eam.html, "eam/fs/opt"_pair_eam.html, "eim"_pair_eim.html, +"gauss"_pair_gauss.html, "gayberne"_pair_gayberne.html, "gayberne/gpu"_pair_gayberne.html, "gran/hertz/history"_pair_gran.html, diff --git a/doc/pair_born.html b/doc/pair_born.html index 999e9ffb9a..a478fcf3b2 100644 --- a/doc/pair_born.html +++ b/doc/pair_born.html @@ -9,17 +9,29 @@

+

pair_style born command +

pair_style born/coul/long command

Syntax:

-
pair_style born/coul/long cutoff (cutoff2) 
+
pair_style style args 
 

-
  • cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
-
  • cutoff2 = global cutoff for Coulombic (optional) (distance units) 
+
    • style = born or born/coul/long
+
    • args = list of arguments for a particular style 
 
    
+
      born args = cutoff
+    cutoff = global cutoff for non-Coulombic interactions (distance units)
+  born/coul/long args = cutoff (cutoff2)
+    cutoff = global cutoff for non-Coulombic (and Coulombic if only 1 arg) (distance units)
+    cutoff2 = global cutoff for Coulombic (optional) (distance units) 
+
    
 
    Examples:
 
    
+
    pair_style born 10.0
+pair_coeff * * 6.08 0.317 2.340 24.18 11.51
+pair_coeff 1 1 6.08 0.317 2.340 24.18 11.51 
+
    
 
    pair_style born/coul/long 10.0
 pair_style born/coul/long 10.0 8.0
 pair_coeff * * 6.08 0.317 2.340 24.18 11.51
@@ -27,32 +39,29 @@ pair_coeff 1 1 6.08 0.317 2.340 24.18 11.51
 
    
 
    Description:
 
    
-
    This pair style compute the Born-Mayer-Huggins potential described in
-(Fumi and Tosi), given by
+
    The born style computes the Born-Mayer-Huggins or Tosi/Fumi
+potential described in (Fumi and Tosi), given by
 
    
 
    
 
    
 
    where sigma is an interaction-dependent length parameter, rho is an
-ionic-pair dependent length parameter, and the last term represents
-the usual Coulombic pairwise interaction between atoms I and J.  In
-the Coulombic term, k is an energy-conversion constant, Qi and Qj are
-the charges on the 2 atoms, and epsilon is the dielectric constant
-which can be set by the dielectric command.
+ionic-pair dependent length parameter, and Rc is the cutoff.
 
    
-
    If one cutoff is specified in the pair_style command, it is used for
-both the A,C,D and Coulombic terms.  If two cutoffs are specified, the
-first is used as the cutoff for the A,C,D terms, and the second is the
-cutoff for the Coulombic term.
+
    The born/coul/long style adds a Coulombic term as described for the
+lj/cut pair styles.  An additional damping factor is
+applied to the Coulombic term so it can be used in conjunction with
+the kspace_style command and its ewald or pppm
+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.
 
    
-
    Note that this potential is identical to the Buckingham
-potential when sigma = D = 0.
+
    If one cutoff is specified for the born/coulk/long style, it is used
+for both the A,C,D and Coulombic terms.  If two cutoffs are specified,
+the first is used as the cutoff for the A,C,D terms, and the second is
+the cutoff for the Coulombic term.
 
    
-
    An additional damping factor is applied to the Coulombic term so it
-can be used in conjunction with the kspace_style
-command and its ewald or pppm 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.
+
    Note that these potentials are related to the Buckingham
+potential.
 
    
 
    The following coefficients must be defined for each pair of atoms
 types via the pair_coeff command as in the examples
@@ -67,36 +76,40 @@ commands, or by mixing as described below:
 
  • D (energy units * distance units^8)
 
  • cutoff (distance units) 
 

+
The second coefficient, rho, must be greater than zero.
+

 
The last coefficient is optional.  If not specified, the global A,C,D
-cutoff specified in the pair_style command is used.  Only the A,C,D
-cutoff can be specified since a Coulombic cutoff cannot be specified
-for an individual I,J type pair.  All type pairs use the same global
+cutoff specified in the pair_style command is used.
+

+
For buck/coul/long no Coulombic cutoff can be specified for an
+individual I,J type pair.  All type pairs use the same global
 Coulombic cutoff specified in the pair_style command.
 

 

 
 
Mixing, shift, table, tail correction, restart, rRESPA info:
 

-
This style does not support mixing.  Thus, coefficients for all
+
These pair styles do not support mixing.  Thus, coefficients for all
 I,J pairs must be specified explicitly.
 

-
This style supports the pair_modify shift option
+
These styles support the pair_modify shift option
 for the energy of the exp(), 1/r^6, and 1/r^8 portion of the pair
 interaction.
 

-
This style does not support the pair_modify
-table option since a tabulation capability has not yet been added to
-this potential.
+
The born/coul/long pair style does not support the
+pair_modify table option since a tabulation
+capability has not yet been added to this potential.
 

-
This style does not support the pair_modify tail option for
-adding long-range tail corrections to energy and pressure.
+
These styles support the pair_modify tail option for adding long-range
+tail corrections to energy and pressure.
 

-
This style writes its information to binary
-restart files, so pair_style and pair_coeff commands do
-not need to be specified in an input script that reads a restart file.
+
Thess styles writes thei information to binary restart
+files, so pair_style and pair_coeff commands do not need to be
+specified in an input script that reads a restart file.
 

-
This style only supports the pair keyword of run_style respa.
-See the run_style command for details.
+
These styles can only be used via the pair keyword of the run_style
+respa command.  They do not support the inner,
+middle, outer keywords.
 

 

 
diff --git a/doc/pair_born.txt b/doc/pair_born.txt
index fcc0f91242..5c737b3dcb 100644
--- a/doc/pair_born.txt
+++ b/doc/pair_born.txt
@@ -7,17 +7,27 @@
 
 :line
 
+pair_style born command :h3
 pair_style born/coul/long command :h3
 
 [Syntax:]
 
-pair_style born/coul/long cutoff (cutoff2) :pre
+pair_style style args :pre
 
-cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
-cutoff2 = global cutoff for Coulombic (optional) (distance units) :ul
+style = {born} or {born/coul/long}
+args = list of arguments for a particular style :ul
+  {born} args = cutoff
+    cutoff = global cutoff for non-Coulombic interactions (distance units)
+  {born/coul/long} args = cutoff (cutoff2)
+    cutoff = global cutoff for non-Coulombic (and Coulombic if only 1 arg) (distance units)
+    cutoff2 = global cutoff for Coulombic (optional) (distance units) :pre
 
 [Examples:]
 
+pair_style born 10.0
+pair_coeff * * 6.08 0.317 2.340 24.18 11.51
+pair_coeff 1 1 6.08 0.317 2.340 24.18 11.51 :pre
+
 pair_style born/coul/long 10.0
 pair_style born/coul/long 10.0 8.0
 pair_coeff * * 6.08 0.317 2.340 24.18 11.51
@@ -25,32 +35,29 @@ pair_coeff 1 1 6.08 0.317 2.340 24.18 11.51 :pre
 
 [Description:]
 
-This pair style compute the Born-Mayer-Huggins potential described in
-"(Fumi and Tosi)"_#FumiTosi, given by
+The {born} style computes the Born-Mayer-Huggins or Tosi/Fumi
+potential described in "(Fumi and Tosi)"_#FumiTosi, given by
 
 :c,image(Eqs/pair_born.jpg)
 
 where sigma is an interaction-dependent length parameter, rho is an
-ionic-pair dependent length parameter, and the last term represents
-the usual Coulombic pairwise interaction between atoms I and J.  In
-the Coulombic term, k is an energy-conversion constant, Qi and Qj are
-the charges on the 2 atoms, and epsilon is the dielectric constant
-which can be set by the "dielectric"_dielectric.html command.
+ionic-pair dependent length parameter, and Rc is the cutoff.
 
-If one cutoff is specified in the pair_style command, it is used for
-both the A,C,D and Coulombic terms.  If two cutoffs are specified, the
-first is used as the cutoff for the A,C,D terms, and the second is the
-cutoff for the Coulombic term.
+The {born/coul/long} style adds a Coulombic term as described for the
+"lj/cut"_pair_lj.html pair styles.  An additional damping factor is
+applied to the Coulombic term so it can be used in conjunction with
+the "kspace_style"_kspace_style.html command and its {ewald} or {pppm}
+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.
 
-Note that this potential is identical to the "Buckingham
-potential"_pair_buck.html when sigma = D = 0.
+If one cutoff is specified for the {born/coulk/long} style, it is used
+for both the A,C,D and Coulombic terms.  If two cutoffs are specified,
+the first is used as the cutoff for the A,C,D terms, and the second is
+the cutoff for the Coulombic term.
 
-An additional damping factor is applied to the Coulombic term so it
-can be used in conjunction with the "kspace_style"_kspace_style.html
-command and its {ewald} or {pppm} 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.
+Note that these potentials are related to the "Buckingham
+potential"_pair_born.html.
 
 The following coefficients must be defined for each pair of atoms
 types via the "pair_coeff"_pair_coeff.html command as in the examples
@@ -65,36 +72,40 @@ C (energy units * distance units^6)
 D (energy units * distance units^8)
 cutoff (distance units) :ul
 
+The second coefficient, rho, must be greater than zero.
+
 The last coefficient is optional.  If not specified, the global A,C,D
-cutoff specified in the pair_style command is used.  Only the A,C,D
-cutoff can be specified since a Coulombic cutoff cannot be specified
-for an individual I,J type pair.  All type pairs use the same global
+cutoff specified in the pair_style command is used.
+
+For {buck/coul/long} no Coulombic cutoff can be specified for an
+individual I,J type pair.  All type pairs use the same global
 Coulombic cutoff specified in the pair_style command.
 
 :line
 
 [Mixing, shift, table, tail correction, restart, rRESPA info]:
 
-This style does not support mixing.  Thus, coefficients for all
+These pair styles do not support mixing.  Thus, coefficients for all
 I,J pairs must be specified explicitly.
 
-This style supports the "pair_modify"_pair_modify.html shift option
+These styles support the "pair_modify"_pair_modify.html shift option
 for the energy of the exp(), 1/r^6, and 1/r^8 portion of the pair
 interaction.
 
-This style does not support the "pair_modify"_pair_modify.html
-table option since a tabulation capability has not yet been added to
-this potential.
+The {born/coul/long} pair style does not support the
+"pair_modify"_pair_modify.html table option since a tabulation
+capability has not yet been added to this potential.
 
-This style does not support the pair_modify tail option for
-adding long-range tail corrections to energy and pressure.
+These styles support the pair_modify tail option for adding long-range
+tail corrections to energy and pressure.
 
-This style writes its information to binary
-"restart"_restart.html files, so pair_style and pair_coeff commands do
-not need to be specified in an input script that reads a restart file.
+Thess styles writes thei information to binary "restart"_restart.html
+files, so pair_style and pair_coeff commands do not need to be
+specified in an input script that reads a restart file.
 
-This style only supports the {pair} keyword of run_style respa.
-See the "run_style"_run_style.html command for details.
+These styles can only be used via the {pair} keyword of the "run_style
+respa"_run_style.html command.  They do not support the {inner},
+{middle}, {outer} keywords.
 
 :line
 
diff --git a/doc/pair_buck.html b/doc/pair_buck.html
index 25ae507a2f..9de6f201e2 100644
--- a/doc/pair_buck.html
+++ b/doc/pair_buck.html
@@ -55,12 +55,25 @@ Lennard-Jones 12/6) given by
 

 

 

-
Rc is the cutoff.
+
where rho is an ionic-pair dependent length parameter, and Rc is the
+cutoff.
 

 
The buck/coul/cut and buck/coul/long styles add a Coulombic term
-as described for the lj/cut pair styles.
+as described for the lj/cut pair styles.  For
+buck/coul/long, an additional damping factor is applied to the
+Coulombic term so it can be used in conjunction with the
+kspace_style command and its ewald or pppm
+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.
 

-
Note that this potential is related to the Born-Mayer-Huggins
+
If one cutoff is specified for the born/coul/cut and
+born/coulk/long styles, it is used for both the A,C and Coulombic
+terms.  If two cutoffs are specified, the first is used as the cutoff
+for the A,C terms, and the second is the cutoff for the Coulombic
+term.
+

+
Note that these potentials are related to the Born-Mayer-Huggins
 potential.
 

 
The following coefficients must be defined for each pair of atoms
@@ -93,28 +106,26 @@ pair_style command.
 
 
Mixing, shift, table, tail correction, restart, rRESPA info:
 

-
None of the Buckingham pair styles support mixing.  Thus, coefficients
-for all I,J pairs must be specified explicitly.
+
These pair styles do not support mixing.  Thus, coefficients for all
+I,J pairs must be specified explicitly.
 

-
All of the Buckingham pair styles support the
-pair_modify shift option for the energy of the
-exp() and 1/r^6 portion of the pair interaction.
+
These styles support the pair_modify shift option
+for the energy of the exp() and 1/r^6 portion of the pair interaction.
 

 
The buck/coul/long pair style does not support the
 pair_modify table option since a tabulation
 capability has not yet been added to this potential.
 

-
None of the Buckingham pair styles support the
-pair_modify tail option for adding long-range tail
-corrections to energy and pressure.
+
These styles do not support the pair_modify tail
+option for adding long-range tail corrections to energy and pressure.
 

-
All of the Buckingham pair styles write their information to binary
-restart files, so pair_style and pair_coeff commands do
-not need to be specified in an input script that reads a restart file.
+
These styles write their information to binary restart
+files, so pair_style and pair_coeff commands do not need
+to be specified in an input script that reads a restart file.
 

-
All of the Buckingham pair styles can only be used via the pair
-keyword of the run_style respa command.  They do not
-support the inner, middle, outer keywords.
+
These styles can only be used via the pair keyword of the run_style
+respa command.  They do not support the inner,
+middle, outer keywords.
 

 
Restrictions:
 

diff --git a/doc/pair_buck.txt b/doc/pair_buck.txt
index 47d9d49f5d..000a0aa0a4 100644
--- a/doc/pair_buck.txt
+++ b/doc/pair_buck.txt
@@ -49,12 +49,25 @@ Lennard-Jones 12/6) given by
 
 :c,image(Eqs/pair_buck.jpg)
 
-Rc is the cutoff.
+where rho is an ionic-pair dependent length parameter, and Rc is the
+cutoff.
 
 The {buck/coul/cut} and {buck/coul/long} styles add a Coulombic term
-as described for the "lj/cut"_pair_lj.html pair styles.
+as described for the "lj/cut"_pair_lj.html pair styles.  For
+{buck/coul/long}, an additional damping factor is applied to the
+Coulombic term so it can be used in conjunction with the
+"kspace_style"_kspace_style.html command and its {ewald} or {pppm}
+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.
 
-Note that this potential is related to the "Born-Mayer-Huggins
+If one cutoff is specified for the {born/coul/cut} and
+{born/coulk/long} styles, it is used for both the A,C and Coulombic
+terms.  If two cutoffs are specified, the first is used as the cutoff
+for the A,C terms, and the second is the cutoff for the Coulombic
+term.
+
+Note that these potentials are related to the "Born-Mayer-Huggins
 potential"_pair_born.html.
 
 The following coefficients must be defined for each pair of atoms
@@ -87,28 +100,26 @@ pair_style command.
 
 [Mixing, shift, table, tail correction, restart, rRESPA info]:
 
-None of the Buckingham pair styles support mixing.  Thus, coefficients
-for all I,J pairs must be specified explicitly.
+These pair styles do not support mixing.  Thus, coefficients for all
+I,J pairs must be specified explicitly.
 
-All of the Buckingham pair styles support the
-"pair_modify"_pair_modify.html shift option for the energy of the
-exp() and 1/r^6 portion of the pair interaction.
+These styles support the "pair_modify"_pair_modify.html shift option
+for the energy of the exp() and 1/r^6 portion of the pair interaction.
 
 The {buck/coul/long} pair style does not support the
 "pair_modify"_pair_modify.html table option since a tabulation
 capability has not yet been added to this potential.
 
-None of the Buckingham pair styles support the
-"pair_modify"_pair_modify.html tail option for adding long-range tail
-corrections to energy and pressure.
+These styles do not support the "pair_modify"_pair_modify.html tail
+option for adding long-range tail corrections to energy and pressure.
 
-All of the Buckingham pair styles write their information to "binary
-restart files"_restart.html, so pair_style and pair_coeff commands do
-not need to be specified in an input script that reads a restart file.
+These styles write their information to "binary restart
+files"_restart.html, so pair_style and pair_coeff commands do not need
+to be specified in an input script that reads a restart file.
 
-All of the Buckingham pair styles can only be used via the {pair}
-keyword of the "run_style respa"_run_style.html command.  They do not
-support the {inner}, {middle}, {outer} keywords.
+These styles can only be used via the {pair} keyword of the "run_style
+respa"_run_style.html command.  They do not support the {inner},
+{middle}, {outer} keywords.
 
 [Restrictions:]
 
diff --git a/doc/pair_coeff.html b/doc/pair_coeff.html
index de26f20bbf..34e172674b 100644
--- a/doc/pair_coeff.html
+++ b/doc/pair_coeff.html
@@ -88,6 +88,7 @@ the pair_style command, and coefficients specified by the associated
 
  • pair_style hybrid/overlay - multiple styles of superposed pairwise interactions 
 
 
    • pair_style airebo - AI-REBO potential
+
    • pair_style born - Born-Mayer-Huggins potential
 
    • pair_style born/coul/long - Born-Mayer-Huggins with long-range Coulomb
 
    • pair_style buck - Buckingham potential
 
    • pair_style buck/coul/cut - Buckingham with cutoff Coulomb
@@ -107,6 +108,7 @@ the pair_style command, and coefficients specified by the associated
 
    • pair_style eam/fs - Finnis-Sinclair EAM
 
    • pair_style eam/fs/opt - optimized version of Finnis-Sinclair EAM
 
    • pair_style eim - embedded ion method (EIM)
+
    • pair_style gauss - Gaussian potential
 
    • pair_style gayberne - Gay-Berne ellipsoidal potential
 
    • pair_style gayberne/gpu - GPU-enabled Gay-Berne ellipsoidal potential
 
    • pair_style gran/hertz/history - granular potential with Hertzian interactions
diff --git a/doc/pair_coeff.txt b/doc/pair_coeff.txt
index 9fb12c8342..9060f6c3a5 100644
--- a/doc/pair_coeff.txt
+++ b/doc/pair_coeff.txt
@@ -85,6 +85,7 @@ the pair_style command, and coefficients specified by the associated
 "pair_style hybrid/overlay"_pair_hybrid.html - multiple styles of superposed pairwise interactions :ul
 
 "pair_style airebo"_pair_airebo.html - AI-REBO potential
+"pair_style born"_pair_born.html - Born-Mayer-Huggins potential
 "pair_style born/coul/long"_pair_born.html - Born-Mayer-Huggins with long-range Coulomb
 "pair_style buck"_pair_buck.html - Buckingham potential
 "pair_style buck/coul/cut"_pair_buck.html - Buckingham with cutoff Coulomb
@@ -104,6 +105,7 @@ the pair_style command, and coefficients specified by the associated
 "pair_style eam/fs"_pair_eam.html - Finnis-Sinclair EAM
 "pair_style eam/fs/opt"_pair_eam.html - optimized version of Finnis-Sinclair EAM
 "pair_style eim"_pair_eim.html - embedded ion method (EIM)
+"pair_style gauss"_pair_gauss.html - Gaussian potential
 "pair_style gayberne"_pair_gayberne.html - Gay-Berne ellipsoidal potential
 "pair_style gayberne/gpu"_pair_gayberne.html - GPU-enabled Gay-Berne ellipsoidal potential
 "pair_style gran/hertz/history"_pair_gran.html - granular potential with Hertzian interactions
diff --git a/doc/pair_gauss.html b/doc/pair_gauss.html
new file mode 100644
index 0000000000..696a48b6b9
--- /dev/null
+++ b/doc/pair_gauss.html
@@ -0,0 +1,84 @@
+
+
      LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Commands 
+
      
+
+
+
+
+
+
+
      
+
+
      pair_style gauss command 
+
      
+
      Syntax: 
+
      
+
      pair_style gauss cutoff 
+
      
+
      • cutoff = global cutoff for Gauss interactions (distance units) 
+
      
+
      Examples: 
+
      
+
      pair_style gauss 12.0 
+pair_coeff * * 1.0 0.9
+pair_coeff 1 4 1.0 0.9 10.0 
+
      
+
      Description: 
+
      
+
      Style gauss computes a tethering potential of the form
+
      
+
      
+
      
+
      between an atom and its corresponding tether site which will typically
+be a frozen atom in the simulation.  Rc is the cutoff.
+
      
+
      The following coefficients must be defined for each pair of atom types
+via the pair_coeff command as in the examples above,
+or in the data file or restart files read by the
+read_data or read_restart
+commands:
+
      
+
      • A (energy units)
+
      • B (1/distance^2 units) 
+
      • cutoff (distance units) 
+
      
+
      The last coefficient is optional. If not specified, the global cutoff
+is used.
+
      
+
      
+
+
      Mixing, shift, table, tail correction, restart, rRESPA info:
+
      
+
      This pair style does not support mixing.  Thus, coefficients for all
+I,J pairs must be specified explicitly.
+
      
+
      This pair style does not support the pair_modify
+shift option. There is no effect due to the Gaussian well beyond the
+cutoff; hence reasonable cutoffs need to be specified.
+
      
+
      The pair_modify table and tail options are not
+relevant for this pair style.
+
      
+
      This pair style does not support the pair_modify
+table option, since a tabulation capability does not exist for this
+potential.
+
      
+
      This pair style writes its information to binary restart
+files, so pair_style and pair_coeff commands do not need
+to be specified in an input script that reads a restart file.
+
      
+
      This pair style can only be used via the pair keyword of the
+run_style respa command.  It does not support the
+inner, middle, outer keywords.
+
      
+
      
+
+
      Restrictions: none
+
      
+
      Related commands:
+
      
+
      pair_coeff, fix adapt
+
      
+
      Default: none
+
      
+
diff --git a/doc/pair_gauss.txt b/doc/pair_gauss.txt
new file mode 100644
index 0000000000..809bb7d237
--- /dev/null
+++ b/doc/pair_gauss.txt
@@ -0,0 +1,79 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Section_commands.html#comm)
+
+:line
+
+pair_style gauss command :h3
+
+[Syntax:] 
+
+pair_style gauss cutoff :pre
+
+cutoff = global cutoff for Gauss interactions (distance units) :ul
+
+[Examples:] 
+
+pair_style gauss 12.0 
+pair_coeff * * 1.0 0.9
+pair_coeff 1 4 1.0 0.9 10.0 :pre
+
+[Description:] 
+
+Style {gauss} computes a tethering potential of the form
+
+:c,image(Eqs/pair_gauss.jpg)
+
+between an atom and its corresponding tether site which will typically
+be a frozen atom in the simulation.  Rc is the cutoff.
+
+The following coefficients must be defined for each pair of atom 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
+"read_data"_read_data.html or "read_restart"_read_restart.html
+commands:
+
+A (energy units)
+B (1/distance^2 units) 
+cutoff (distance units) :ul 
+
+The last coefficient is optional. If not specified, the global cutoff
+is used.
+
+:line
+
+[Mixing, shift, table, tail correction, restart, rRESPA info]:
+
+This pair style does not support mixing.  Thus, coefficients for all
+I,J pairs must be specified explicitly.
+
+This pair style does not support the "pair_modify"_pair_modify.html
+shift option. There is no effect due to the Gaussian well beyond the
+cutoff; hence reasonable cutoffs need to be specified.
+
+The "pair_modify"_pair_modify.html table and tail options are not
+relevant for this pair style.
+
+This pair style does not support the "pair_modify"_pair_modify.html
+table option, since a tabulation capability does not exist for this
+potential.
+
+This pair style writes its information to "binary restart
+files"_restart.html, so pair_style and pair_coeff commands do not need
+to be specified in an input script that reads a restart file.
+
+This pair style can only be used via the {pair} keyword of the
+"run_style respa"_run_style.html command.  It does not support the
+{inner}, {middle}, {outer} keywords.
+
+:line
+
+[Restrictions:] none
+
+[Related commands:]
+
+"pair_coeff"_pair_coeff.html, "fix adapt"_fix_adapt.html
+
+[Default:] none
diff --git a/doc/pair_style.html b/doc/pair_style.html
index 88957d663f..ce191c2c1d 100644
--- a/doc/pair_style.html
+++ b/doc/pair_style.html
@@ -90,6 +90,7 @@ the pair_style command, and coefficients specified by the associated
 
    • pair_style hybrid/overlay - multiple styles of superposed pairwise interactions 
 
    
 
    • pair_style airebo - AI-REBO potential
+
    • pair_style born - Born-Mayer-Huggins potential
 
    • pair_style born/coul/long - Born-Mayer-Huggins with long-range Coulomb
 
    • pair_style buck - Buckingham potential
 
    • pair_style buck/coul/cut - Buckingham with cutoff Coulomb
@@ -109,6 +110,7 @@ the pair_style command, and coefficients specified by the associated
 
    • pair_style eam/fs - Finnis-Sinclair EAM
 
    • pair_style eam/fs/opt - optimized version of Finnis-Sinclair EAM
 
    • pair_style eim - embedded ion method (EIM)
+
    • pair_style gauss - Gaussian potential
 
    • pair_style gayberne - Gay-Berne ellipsoidal potential
 
    • pair_style gayberne/gpu - GPU-enabled Gay-Berne ellipsoidal potential
 
    • pair_style gran/hertz/history - granular potential with Hertzian interactions
diff --git a/doc/pair_style.txt b/doc/pair_style.txt
index fb2bac99f1..ab05aed452 100644
--- a/doc/pair_style.txt
+++ b/doc/pair_style.txt
@@ -87,6 +87,7 @@ the pair_style command, and coefficients specified by the associated
 "pair_style hybrid/overlay"_pair_hybrid.html - multiple styles of superposed pairwise interactions :ul
 
 "pair_style airebo"_pair_airebo.html - AI-REBO potential
+"pair_style born"_pair_born.html - Born-Mayer-Huggins potential
 "pair_style born/coul/long"_pair_born.html - Born-Mayer-Huggins with long-range Coulomb
 "pair_style buck"_pair_buck.html - Buckingham potential
 "pair_style buck/coul/cut"_pair_buck.html - Buckingham with cutoff Coulomb
@@ -106,6 +107,7 @@ the pair_style command, and coefficients specified by the associated
 "pair_style eam/fs"_pair_eam.html - Finnis-Sinclair EAM
 "pair_style eam/fs/opt"_pair_eam.html - optimized version of Finnis-Sinclair EAM
 "pair_style eim"_pair_eim.html - embedded ion method (EIM)
+"pair_style gauss"_pair_gauss.html - Gaussian potential
 "pair_style gayberne"_pair_gayberne.html - Gay-Berne ellipsoidal potential
 "pair_style gayberne/gpu"_pair_gayberne.html - GPU-enabled Gay-Berne ellipsoidal potential
 "pair_style gran/hertz/history"_pair_gran.html - granular potential with Hertzian interactions