charge/include/utils

namespace feasst

Functions

double kelvin2kJpermol(const double kelvin)

Convert a temperature in units of Kelvin to energy in units of kJ/mol after multiplying by the ideal gas constant. Use the default physical constants (as given in ModelParams).

double kelvin2kJpermol(const double kelvin, const Configuration &config)

Same as above, but obtain the physical constants from a Configuration.