--- trunk/OOPSE/libmdtools/Thermo.cpp	2003/04/03 13:43:02	444
+++ trunk/OOPSE/libmdtools/Thermo.cpp	2003/04/03 19:58:24	445
@@ -154,10 +154,9 @@ 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
+  // returns pressure in units amu*fs^-2*Ang^-1
+  // routine derived via viral theorem description in:
+  // Paci, E. and Marchi, M. J.Phys.Chem. 1996, 100, 4314-4322
 
   return 0.0;
 }