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root/OpenMD/branches/development/src/io/ForceFieldOptions.cpp
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Comparing branches/development/src/io/ForceFieldOptions.cpp (file contents):
Revision 1586 by gezelter, Tue Dec 28 21:47:55 2010 UTC vs.
Revision 1587 by gezelter, Fri Jul 8 20:25:32 2011 UTC

# Line 54 | Line 54 | namespace OpenMD {
54        DefineOptionalParameterWithDefaultValue(DistanceUnitScaling, "DistanceUnitScaling", 1.0);
55        DefineOptionalParameterWithDefaultValue(AngleUnitScaling, "AngleUnitScaling", 1.0);
56        DefineOptionalParameterWithDefaultValue(TorsionAngleConvention, "TorsionAngleConvention", "180_is_trans");
57 <      DefineOptionalParameterWithDefaultValue(vdw12scale, "vdW-12-scale", 0.0);
58 <      DefineOptionalParameterWithDefaultValue(vdw13scale, "vdW-13-scale", 0.0);
59 <      DefineOptionalParameterWithDefaultValue(vdw14scale, "vdW-14-scale", 0.0);
60 <      DefineOptionalParameterWithDefaultValue(electrostatic12scale, "electrostatic-12-scale", 0.0)
61 <      DefineOptionalParameterWithDefaultValue(electrostatic13scale, "electrostatic-13-scale", 0.0)
62 <      DefineOptionalParameterWithDefaultValue(electrostatic14scale, "electrostatic-14-scale", 0.0)
57 >      DefineOptionalParameter(vdw12scale, "vdW-12-scale");
58 >      DefineOptionalParameter(vdw13scale, "vdW-13-scale");
59 >      DefineOptionalParameter(vdw14scale, "vdW-14-scale");
60 >      DefineOptionalParameter(electrostatic12scale, "electrostatic-12-scale");
61 >      DefineOptionalParameter(electrostatic13scale, "electrostatic-13-scale");
62 >      DefineOptionalParameter(electrostatic14scale, "electrostatic-14-scale");
63 >
64 >      // DefineOptionalParameterWithDefaultValue(vdw12scale, "vdW-12-scale", 0.0);
65 >      // DefineOptionalParameterWithDefaultValue(vdw13scale, "vdW-13-scale", 0.0);
66 >      // DefineOptionalParameterWithDefaultValue(vdw14scale, "vdW-14-scale", 0.0);
67 >      // DefineOptionalParameterWithDefaultValue(electrostatic12scale, "electrostatic-12-scale", 0.0);
68 >      // DefineOptionalParameterWithDefaultValue(electrostatic13scale, "electrostatic-13-scale", 0.0);
69 >      // DefineOptionalParameterWithDefaultValue(electrostatic14scale, "electrostatic-14-scale", 0.0);
70        DefineOptionalParameterWithDefaultValue(GayBerneMu, "GayBerneMu", 2.0);
71        DefineOptionalParameterWithDefaultValue(GayBerneNu, "GayBerneNu", 1.0);
72        DefineOptionalParameterWithDefaultValue(EAMMixingMethod, "EAMMixingMethod", "Johnson");

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