--- trunk/OOPSE-4/src/utils/OOPSEConstant.hpp	2005/05/20 16:01:38	2236
+++ trunk/OOPSE-4/src/utils/OOPSEConstant.hpp	2009/07/22 15:00:21	3516
@@ -45,11 +45,39 @@ namespace oopse {
 namespace oopse {
 
   namespace OOPSEConstant {
-    const double kb = 1.9872156E-3; // boltzman's constant in kcal/(mol K)
-    const double kB = 8.31451e-7;// boltzmann constant amu*Ang^2*fs^-2/K
-    const double energyConvert = 4.184E-4; // convert kcal/mol -> (amu A^2)/fs^2
-    const double pressureConvert = 1.63882576e8; // //converts amu*fs^-2*Ang^-1 -> atm
-    const double surfaceTensorConvert = 1.43936; // convert N/m to kcal/mol*Ang^-2
+    const RealType kb = 1.9872156E-3; // boltzman's constant in kcal/(mol K)
+    const RealType kB = 8.31451e-7;   // boltzmann constant amu*Ang^2*fs^-2/K
+    const RealType energyConvert = 4.184E-4; // convert kcal/mol -> (amu A^2)/fs^2
+    const RealType rotationalEnergyConvert = energyConvert*2.0*M_PI;
+    
+    const RealType pressureConvert = 1.63882576e8; // converts amu*fs^-2*Ang^-1 -> atm
+
+    /* 
+     *  surfaceTensionConvert   
+     *    multiplies standard input file units of 
+     *      surfaceTension (Newton / meter)
+     *    returns values of
+     *      kcal mol^-1 Angstrom^-2
+     */
+    const RealType surfaceTensionConvert = 1.439326479; // convert N/m to kcal/mol*Ang^-2
+    
+    /* 
+     *  viscoConvert   
+     *    used for products of:
+     *      viscosity (Poise) * distance (Angstroms) * velocity (Angstrom / fs)
+     *    returns values of:
+     *      force in (kcal mol^-1 Angstrom^-1) 
+     */
+    const RealType viscoConvert = 1.439326479e4; 
+
+    /* 
+     *  thermalConductivityConvert   
+     *    multiplies standard input file units of 
+     *      themalConductivity (watts meter^-1 Kelvin^-1)  
+     *    returns values of:
+     *      kcal mol^-1 Angstrom^-1 fs^-1 Kelvin^-1
+     */
+    const RealType thermalConductivityConvert = 1.439326479e-5; 
   }
 }
 #endif