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documentation update for MEAM to clarify the I,J,K indices in the MEAM parameter file

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Axel Kohlmeyer
2018-03-06 13:21:34 -05:00
parent 1ca928b331
commit 64779eb576
1 changed files with 8 additions and 1 deletions
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9
doc/src/pair_meam.txt
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@ -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