diff --git a/doc/Eqs/pair_gauss.jpg b/doc/Eqs/pair_gauss.jpg
new file mode 100644
index 0000000000..c6c4b6a522
Binary files /dev/null and b/doc/Eqs/pair_gauss.jpg differ
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:
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