--- trunk/src/utils/PhysicalConstants.hpp 2014/09/08 23:32:20 2019 +++ trunk/src/utils/PhysicalConstants.hpp 2014/09/22 19:18:35 2020 @@ -55,6 +55,11 @@ namespace OpenMD { const RealType pressureConvert = 1.63882576e8; // converts amu*fs^-2*Ang^-1 -> atm + //! \name chargeFieldConvert Converts electron-volts to kcal/mol + const RealType chargeFieldConvert = 23.0609; + //! \name dipoleFieldConvert Converts Debye*Volts/Angstroms to kcal/mol + const RealType dipoleFieldConvert = 4.8018969509; + /* * surfaceTensionConvert * multiplies standard input file units of