ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/io/ForceFieldOptions.cpp
(Generate patch)

Comparing trunk/src/io/ForceFieldOptions.cpp (file contents):
Revision 1004 by gezelter, Sun Jul 16 02:46:27 2006 UTC vs.
Revision 1050 by chrisfen, Fri Sep 22 22:19:59 2006 UTC

# Line 56 | Line 56 | namespace oopse {
56        DefineOptionalParameterWithDefaultValue(TorsionAngleConvention, "TorsionAngleConvention", "180_is_trans");
57        DefineOptionalParameterWithDefaultValue(vdw14scale, "vdW-14-scale", 0.0);
58        DefineOptionalParameterWithDefaultValue(electrostatic14scale, "electrostatic-14-scale", 0.0)
59 –      DefineOptionalParameterWithDefaultValue(dielectric, "dielectric", 1.0);
59        DefineOptionalParameterWithDefaultValue(GayBerneMu, "GayBerneMu", 2.0);
60        DefineOptionalParameterWithDefaultValue(GayBerneNu, "GayBerneNu", 1.0);
61      }
# Line 69 | Line 68 | namespace oopse {
68      fortranForceOptions.GayBerneMu = this->getGayBerneMu();
69      fortranForceOptions.GayBerneNu = this->getGayBerneNu();
70  
71 +
72      std::string DistanceMix = this->getDistanceMixingRule();
73      toUpper(DistanceMix);
74      if(DistanceMix == "ARITHMETIC"){

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines