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root/OpenMD/branches/development/forceFields/SuttonChen.frc
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Comparing:
trunk/forceFields/SuttonChen.frc (file contents), Revision 862 by chuckv, Fri Jan 13 00:09:34 2006 UTC vs.
branches/development/forceFields/SuttonChen.frc (file contents), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

# Line 6 | Line 6 | begin Options
6        DistanceMixingRule    Geometric
7        EnergyMixingRule      Geometric
8   //  energy unit are eV. Convert to kcal/mol
9 <      EnergyUnitScaling     23.0605423
9 >      MetallicEnergyUnitScaling     23.0605423
10        cutoffPolicy         MIX
11   end Options
12  
13 < begin AtomTypes
13 > begin BaseAtomTypes
14   //Name        mass(amu)
15   Ni      58.710
16   Cu      63.550
# Line 22 | Line 22 | Al     26.981538
22   Au      196.97
23   Pb      207.2
24   Al      26.981538
25 < end AtomTypes
25 > end BaseAtomTypes
26  
27 + begin AtomTypes
28  
29 + end AtomTypes
30 +
31   begin SCAtomTypes
32   // Name  epsilon(eV)      c      m       n      alpha(angstroms)
33   Ni      0.015714        39.755  6.0     9.0     3.52

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