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