From 19b228875cfca2e6c2ae485cd90ef78d7d89ecdd Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 3 Oct 2012 15:40:18 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8895 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/pair_buck_long.html | 14 +++++++------- doc/pair_buck_long.txt | 14 +++++++------- doc/pair_lj_long.html | 24 ++++++++++++------------ doc/pair_lj_long.txt | 24 ++++++++++++------------ 4 files changed, 38 insertions(+), 38 deletions(-) diff --git a/doc/pair_buck_long.html b/doc/pair_buck_long.html index 85e322a6cb..fa8ee5769a 100644 --- a/doc/pair_buck_long.html +++ b/doc/pair_buck_long.html @@ -9,13 +9,13 @@
-

pair_style buck/disp/coul/long command +

pair_style buck/long/coul/long command

-

pair_style buck/disp/coul/long/omp command +

pair_style buck/long/coul/long/omp command

Syntax:

-
pair_style buck/disp/coul/long flag_buck flag_coul cutoff (cutoff2) 
+
pair_style buck/long/coul/long flag_buck flag_coul cutoff (cutoff2) 
 

Examples:

-
pair_style buck/disp/coul/long cut off 2.5
-pair_style buck/disp/coul/long cut long 2.5 4.0
-pair_style buck/disp/coul/long long long 2.5 4.0
+
pair_style buck/long/coul/long cut off 2.5
+pair_style buck/long/coul/long cut long 2.5 4.0
+pair_style buck/long/coul/long long long 2.5 4.0
 pair_coeff * * 1 1
 pair_coeff 1 1 1 3 4 
 

Description:

-

The buck/disp/coul/long style computes a Buckingham potential (exp/6 +

The buck/long/coul/long style computes a Buckingham potential (exp/6 instead of Lennard-Jones 12/6) and Coulombic potential, given by

diff --git a/doc/pair_buck_long.txt b/doc/pair_buck_long.txt index 40003e2e20..41ee33d8e4 100644 --- a/doc/pair_buck_long.txt +++ b/doc/pair_buck_long.txt @@ -6,12 +6,12 @@ :line -pair_style buck/disp/coul/long command :h3 -pair_style buck/disp/coul/long/omp command :h3 +pair_style buck/long/coul/long command :h3 +pair_style buck/long/coul/long/omp command :h3 [Syntax:] -pair_style buck/disp/coul/long flag_buck flag_coul cutoff (cutoff2) :pre +pair_style buck/long/coul/long flag_buck flag_coul cutoff (cutoff2) :pre flag_buck = {long} or {cut} :ulb,l {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:] -pair_style buck/disp/coul/long cut off 2.5 -pair_style buck/disp/coul/long cut long 2.5 4.0 -pair_style buck/disp/coul/long long long 2.5 4.0 +pair_style buck/long/coul/long cut off 2.5 +pair_style buck/long/coul/long cut long 2.5 4.0 +pair_style buck/long/coul/long long long 2.5 4.0 pair_coeff * * 1 1 pair_coeff 1 1 1 3 4 :pre [Description:] -The {buck/disp/coul/long} style computes a Buckingham potential (exp/6 +The {buck/long/coul/long} style computes a Buckingham potential (exp/6 instead of Lennard-Jones 12/6) and Coulombic potential, given by :c,image(Eqs/pair_buck.jpg) diff --git a/doc/pair_lj_long.html b/doc/pair_lj_long.html index 547df34dc2..59748b8688 100644 --- a/doc/pair_lj_long.html +++ b/doc/pair_lj_long.html @@ -9,20 +9,20 @@
-

pair_style lj/disp/coul/long command +

pair_style lj/long/coul/long command

-

pair_style lj/disp/coul/long/omp command +

pair_style lj/long/coul/long/omp command

-

pair_style lj/disp/coul/long/tip4p command +

pair_style lj/long/coul/long/tip4p command

Syntax:

pair_style style args 
 
-
  • style = lj/disp/coul/long or lj/disp/coul/long/tip4p +
    • style = lj/long/coul/long or lj/long/coul/long/tip4p
    • args = list of arguments for a particular style
    -
      lj/disp/coul/long args = flag_lj flag_coul cutoff (cutoff2)
    +
      lj/long/coul/long args = flag_lj flag_coul cutoff (cutoff2)
         flag_lj = long or cut
           long = use Kspace long-range summation for dispersion 1/r^6 term
           cut = use a cutoff
    @@ -46,20 +46,20 @@
     

    Examples:

    -
    pair_style lj/disp/coul/long cut off 2.5
    -pair_style lj/disp/coul/long cut long 2.5 4.0
    -pair_style lj/disp/coul/long long long 2.5 4.0
    +
    pair_style lj/long/coul/long cut off 2.5
    +pair_style lj/long/coul/long cut long 2.5 4.0
    +pair_style lj/long/coul/long long long 2.5 4.0
     pair_coeff * * 1 1
     pair_coeff 1 1 1 3 4 
     
    -
    pair_style lj/disp/coul/long/tip4p long long 1 2 7 8 0.15 12.0
    -pair_style lj/disp/coul/long/tip4p long long 1 2 7 8 0.15 12.0 10.0
    +
    pair_style lj/long/coul/long/tip4p long long 1 2 7 8 0.15 12.0
    +pair_style lj/long/coul/long/tip4p long long 1 2 7 8 0.15 12.0 10.0
     pair_coeff * * 100.0 3.0
     pair_coeff 1 1 100.0 3.5 9.0 
     

    Description:

    -

    Style lj/disp/coul/long computes the standard 12/6 Lennard-Jones and +

    Style lj/long/coul/long computes the standard 12/6 Lennard-Jones and Coulombic potentials, given by

    @@ -148,7 +148,7 @@ global LJ cutoff is allowed. Similarly, if you are using flag_coul set to long, you cannot specify a Coulombic cutoff for an atom type pair, since only one global Coulombic cutoff is allowed.

    -

    For lj/disp/coul/long/tip4p only the LJ cutoff can be specified +

    For lj/long/coul/long/tip4p only the LJ 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 Coulombic cutoff specified in the pair_style command. diff --git a/doc/pair_lj_long.txt b/doc/pair_lj_long.txt index f02930cdc4..19e05e87b8 100644 --- a/doc/pair_lj_long.txt +++ b/doc/pair_lj_long.txt @@ -6,17 +6,17 @@ :line -pair_style lj/disp/coul/long command :h3 -pair_style lj/disp/coul/long/omp command :h3 -pair_style lj/disp/coul/long/tip4p command :h3 +pair_style lj/long/coul/long command :h3 +pair_style lj/long/coul/long/omp command :h3 +pair_style lj/long/coul/long/tip4p command :h3 [Syntax:] pair_style style args :pre -style = {lj/disp/coul/long} or {lj/disp/coul/long/tip4p} +style = {lj/long/coul/long} or {lj/long/coul/long/tip4p} args = list of arguments for a particular style :ul - {lj/disp/coul/long} args = flag_lj flag_coul cutoff (cutoff2) + {lj/long/coul/long} args = flag_lj flag_coul cutoff (cutoff2) flag_lj = {long} or {cut} {long} = use Kspace long-range summation for dispersion 1/r^6 term {cut} = use a cutoff @@ -40,20 +40,20 @@ args = list of arguments for a particular style :ul [Examples:] -pair_style lj/disp/coul/long cut off 2.5 -pair_style lj/disp/coul/long cut long 2.5 4.0 -pair_style lj/disp/coul/long long long 2.5 4.0 +pair_style lj/long/coul/long cut off 2.5 +pair_style lj/long/coul/long cut long 2.5 4.0 +pair_style lj/long/coul/long long long 2.5 4.0 pair_coeff * * 1 1 pair_coeff 1 1 1 3 4 :pre -pair_style lj/disp/coul/long/tip4p long long 1 2 7 8 0.15 12.0 -pair_style lj/disp/coul/long/tip4p long long 1 2 7 8 0.15 12.0 10.0 +pair_style lj/long/coul/long/tip4p long long 1 2 7 8 0.15 12.0 +pair_style lj/long/coul/long/tip4p long long 1 2 7 8 0.15 12.0 10.0 pair_coeff * * 100.0 3.0 pair_coeff 1 1 100.0 3.5 9.0 :pre [Description:] -Style {lj/disp/coul/long} computes the standard 12/6 Lennard-Jones and +Style {lj/long/coul/long} computes the standard 12/6 Lennard-Jones and Coulombic potentials, given by :c,image(Eqs/pair_lj.jpg) @@ -142,7 +142,7 @@ global LJ cutoff is allowed. Similarly, if you are using {flag_coul} set to {long}, you cannot specify a Coulombic cutoff for an atom type pair, since only one global Coulombic cutoff is allowed. -For {lj/disp/coul/long/tip4p} only the LJ cutoff can be specified +For {lj/long/coul/long/tip4p} only the LJ 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 Coulombic cutoff specified in the pair_style command.