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root/group/trunk/OOPSE-4/src/utils/OOPSEConstant.hpp
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Comparing trunk/OOPSE-4/src/utils/OOPSEConstant.hpp (file contents):
Revision 2759 by tim, Wed May 17 21:51:42 2006 UTC vs.
Revision 3327 by xsun, Wed Jan 23 21:23:15 2008 UTC

# Line 48 | Line 48 | namespace oopse {
48      const RealType kb = 1.9872156E-3; // boltzman's constant in kcal/(mol K)
49      const RealType kB = 8.31451e-7;// boltzmann constant amu*Ang^2*fs^-2/K
50      const RealType energyConvert = 4.184E-4; // convert kcal/mol -> (amu A^2)/fs^2
51 +    const RealType rotationalEnergyConvert = energyConvert*2.0*M_PI;
52      const RealType pressureConvert = 1.63882576e8; // //converts amu*fs^-2*Ang^-1 -> atm
53      const RealType surfaceTensorConvert = 1.43936; // convert N/m to kcal/mol*Ang^-2
54    }

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