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root/group/trunk/OOPSE-4/forceFields/SuttonChen.QSC.frc
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Comparing trunk/OOPSE-4/forceFields/SuttonChen.QSC.frc (file contents):
Revision 2421 by chuckv, Wed Nov 9 00:11:15 2005 UTC vs.
Revision 2529 by chuckv, Thu Dec 29 20:19:23 2005 UTC

# Line 2 | Line 2 | begin AtomTypes
2   // Useing the quantum corrections due to Kimura, Qi, Cagin and Goddard. For example see
3   // PHYSICAL REVIEW B 59 (5): 3468-3473 FEB 1 1999
4  
5 + begin Options
6 +      Name                   "SCQSC"
7 +      DistanceMixingRule     "Arithmetic"
8 +      EnergyMixingRule       "Geometric"
9 + //  energy unit are eV. Convert to kcal/mol
10 +      EnergyUnitScaling      0.02306054
11 + end Options
12 +
13 +
14   begin AtomTypes
15   //Name        mass(amu)
16   Ni      58.710

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