--- branches/mmeineke/mdtools/md_code/Thermo.cpp	2002/07/09 18:40:59	10
+++ trunk/mdtools/md_code/Thermo.cpp	2002/09/24 22:10:55	117
@@ -83,7 +83,7 @@ double Thermo::getTemperature(){
 
 double Thermo::getTemperature(){
 
-  const double kb = 1.88E-3; // boltzman's constant in kcal/(mol K)
+  const double kb = 1.9872179E-3; // boltzman's constant in kcal/(mol K)
   double temperature;
   
   int ndf = 3 * entry_plug->n_atoms + 3 * entry_plug->n_oriented
@@ -95,9 +95,9 @@ double Thermo::getPressure(){
 
 double Thermo::getPressure(){
 
-  const double conv_Pa_atm = 9.901E-6; // convert Pa -> atm
-  const double conv_internal_Pa = 1.661E-7; //convert amu/(fs^2 A) -> Pa
-  const double conv_A_m = 1.0E-10; //convert A -> m
+//  const double conv_Pa_atm = 9.901E-6; // convert Pa -> atm
+// const double conv_internal_Pa = 1.661E-7; //convert amu/(fs^2 A) -> Pa
+//  const double conv_A_m = 1.0E-10; //convert A -> m
 
   return 0.0;
 }