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OPTIM User Guide
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Keywords
Contents
Specification of Potentials
There follows a list of some of the potentials that the program understands. These are introduced according to the atom type by which they are identified.
Subsections
AR
AU, AG and NI
AX
AZ
BC
BE
C1
C6
CADPAC
CC
CD
CK
DZ
FH
GAUSSIAN
GL
GO
IN
JC
JM
LM
LP
LS
LC
LM
M
ME
MP
MS
NIMET
NIHEAM7
P6
PL
PR
SC
SI
SM
SW
Tosi
TH
TT
Welch
W1, W2, W3, W4
Z1, Z2
Rotating Clusters
David Wales 2015-11-16