From 7abe03a595fb521a467ebaae3a44329d67f1ed6b Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 2 Jul 2015 00:43:29 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13503 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/pair_kim.html | 8 ++++++-- doc/pair_kim.txt | 8 ++++++-- 2 files changed, 12 insertions(+), 4 deletions(-) diff --git a/doc/pair_kim.html b/doc/pair_kim.html index 3f0017c340..7ff025a96a 100644 --- a/doc/pair_kim.html +++ b/doc/pair_kim.html @@ -13,11 +13,11 @@

Syntax:

-
pair_style kim virialmode model print-flag 
+
pair_style kim virialmode model printflag 
 

Examples:

@@ -48,6 +48,10 @@ potential as KIM defines it. In principle, LAMMPS can invoke any KIM model. You should get an error or warning message from either LAMMPS or KIM if there is an incompatibility.

+

The argument printflag is optional. If it is set to a non-zero +value then a KIM dsecriptor file is printed when KIM is invoked. This +can be useful for debugging. The default is to not print this file. +

Only a single pair_coeff command is used with the kim style which specifies the mapping of LAMMPS atom types to KIM elements. This is done by specifying N additional arguments after the * * in the diff --git a/doc/pair_kim.txt b/doc/pair_kim.txt index f27a2325a6..04d8d23dba 100644 --- a/doc/pair_kim.txt +++ b/doc/pair_kim.txt @@ -10,11 +10,11 @@ pair_style kim command :h3 [Syntax:] -pair_style kim virialmode model print-flag :pre +pair_style kim virialmode model printflag :pre virialmode = KIMvirial or LAMMPSvirial model = name of KIM model (potential) -print-flag = 0/1 do/do not print kim descriptor file; default: 0 :ul +printflag = 1/0 do or do not print KIM descriptor file, optional :ul [Examples:] @@ -45,6 +45,10 @@ potential as KIM defines it. In principle, LAMMPS can invoke any KIM model. You should get an error or warning message from either LAMMPS or KIM if there is an incompatibility. +The argument {printflag} is optional. If it is set to a non-zero +value then a KIM dsecriptor file is printed when KIM is invoked. This +can be useful for debugging. The default is to not print this file. + Only a single pair_coeff command is used with the {kim} style which specifies the mapping of LAMMPS atom types to KIM elements. This is done by specifying N additional arguments after the * * in the