Commit 64779eb5 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
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documentation update for MEAM to clarify the I,J,K indices in the MEAM parameter file

parent 1ca928b3
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+8 −1
Original line number Diff line number Diff line
@@ -164,7 +164,14 @@ keyword(I) = value
keyword(I,J) = value
keyword(I,J,K) = value :pre

The recognized keywords are as follows:
The indices I, J, K correspond to the elements selected from the
MEAM library file numbered in the order of how those elements were
selected starting from 1. Thus for the example given below

pair_coeff * * library.meam Si C sic.meam Si Si Si C :pre

an index of 1 would refer to Si and an index of 2 to C. The recognized
keywords for the parameter file are as follows:

Ec, alpha, rho0, delta, lattce, attrac, repuls, nn2, Cmin, Cmax, rc, delr,
augt1, gsmooth_factor, re