(90d0dd27) · Commits · 郑智淋 / lammps

doc/pair_kim.html

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		</H3>
		<P><B>Syntax:</B>
		</P>
		<PRE>pair_style kim virialmode model
		<PRE>pair_style kim virialmode model print-flag
		</PRE>
		<UL><LI>virialmode = KIMvirial or LAMMPSvirial
		<LI>model = name of KIM model (potential)
		<LI>print-flag = 0/1 do/do not print kim descriptor file; default: 0
		</UL>
		<P><B>Examples:</B>
		</P>
		<PRE>pair_style kim KIMvirial model_Ar_P_Morse
		pair_coeff * * Ar Ar
		</PRE>
		<PRE>pair_style kim KIMvirial model_Ar_P_Morse 1
		pair_coeff * * Ar Ar
		</PRE>
		<P><B>Description:</B>
		</P>
		<P>This pair style is a wrapper on the <A HREF = "https://openkim.org">Knowledge Base for Interatomic

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		@@ -10,16 +10,20 @@ pair_style kim command :h3

		[Syntax:]

		pair_style kim virialmode model :pre
		pair_style kim virialmode model print-flag :pre

		virialmode = KIMvirial or LAMMPSvirial
		model = name of KIM model (potential) :ul
		model = name of KIM model (potential)
		print-flag = 0/1 do/do not print kim descriptor file; default: 0 :ul

		[Examples:]

		pair_style kim KIMvirial model_Ar_P_Morse
		pair_coeff * * Ar Ar :pre

		pair_style kim KIMvirial model_Ar_P_Morse 1
		pair_coeff * * Ar Ar :pre

		[Description:]

		This pair style is a wrapper on the "Knowledge Base for Interatomic