Commit af422511 authored by Ryan S. Elliott's avatar Ryan S. Elliott
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Update doc/src/pair_kim.txt

parent fcec1498
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+3 −9
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@@ -10,14 +10,13 @@ pair_style kim command :h3

[Syntax:]

pair_style kim virialmode model :pre
pair_style kim model :pre

virialmode = KIMvirial or LAMMPSvirial
model = name of KIM model (potential)

[Examples:]

pair_style kim KIMvirial ex_model_Ar_P_LJ
pair_style kim ex_model_Ar_P_LJ
pair_coeff * * Ar Ar :pre

[Description:]
@@ -55,11 +54,6 @@ on how to build LAMMSPS with the kim-api and how to install the example models.

:line

The argument {virialmode} determines how the global virial is
calculated.  If {KIMvirial} is specified, the KIM model performs the
global virial calculation (if it knows how).  If {LAMMPSvirial} is
specified, LAMMPS computes the global virial using its fdotr mechanism.

The argument {model} is the name of the KIM model for a specific
potential as KIM defines it.  In principle, LAMMPS can invoke any KIM
model.  You should get an error or warning message from either LAMMPS
@@ -121,7 +115,7 @@ LAMMPS was built with that package. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info.

This current version of pair_style kim is compatible with the
kim-api package version 2.0.0-beta.0 and higher.
kim-api package version 2.0.0-beta.1 and higher.

[Related commands:]