diff --git a/doc/pair_gauss.html b/doc/pair_gauss.html index e03c823624..862cc7c4e3 100644 --- a/doc/pair_gauss.html +++ b/doc/pair_gauss.html @@ -109,7 +109,7 @@ more instructions on how to use the accelerated styles effectively.

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

-

These pair style do 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.

The gauss style does not support the pair_modify @@ -121,21 +121,17 @@ option for the energy of the Gauss-potential portion of the pair interaction.

The pair_modify table and tail options are not -relevant for this pair style. +relevant for these pair styles.

-

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 +

These 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.

-

This pair style can only be used via the pair keyword of the -run_style respa command. It does not support the +

These 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.

-

Thes gauss pair style tallies an "occupancy" count of how many Gaussian-well +

The gauss pair style tallies an "occupancy" count of how many Gaussian-well sites have an atom within the distance at which the force is a maximum = sqrt(0.5/b). This quantity can be accessed via the compute pair command as a vector of values of length 1. @@ -162,4 +158,14 @@ LAMMPS section for more info.

Default: none

+ + +

(Lenart) Lenart , Jusufi, and Panagiotopoulos, J Chem Phys, 126, +044509 (2007). +

+ + +

(Jusufi) Jusufi, Hynninen, and Panagiotopoulos, J Phys Chem B, 112, +13783 (2008). +

diff --git a/doc/pair_gauss.txt b/doc/pair_gauss.txt index 4f0069f852..f65897911f 100644 --- a/doc/pair_gauss.txt +++ b/doc/pair_gauss.txt @@ -103,7 +103,7 @@ more instructions on how to use the accelerated styles effectively. [Mixing, shift, table, tail correction, restart, rRESPA info]: -These pair style do 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. The {gauss} style does not support the "pair_modify"_pair_modify.html @@ -115,21 +115,17 @@ option for the energy of the Gauss-potential portion of the pair interaction. The "pair_modify"_pair_modify.html table and tail options are not -relevant for this pair style. +relevant for these pair styles. -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 +These 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. -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 +These 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. -Thes {gauss} pair style tallies an "occupancy" count of how many Gaussian-well +The {gauss} pair style tallies an "occupancy" count of how many Gaussian-well sites have an atom within the distance at which the force is a maximum = sqrt(0.5/b). This quantity can be accessed via the "compute pair"_compute_pair.html command as a vector of values of length 1. @@ -155,3 +151,12 @@ LAMMPS"_Section_start.html#3 section for more info. "pair_style coul/diel"_pair_coul_diel.html [Default:] none + +:link(Lenart) +[(Lenart)] Lenart , Jusufi, and Panagiotopoulos, J Chem Phys, 126, +044509 (2007). + +:link(Jusufi) +[(Jusufi)] Jusufi, Hynninen, and Panagiotopoulos, J Phys Chem B, 112, +13783 (2008). +