OEGetHonigIonicCavityRadius¶
double OEGetHonigIonicCavityRadius(unsigned int elemno)
Returns the effective ionic radius (defined in [Rashin-1985]) of each element to be used in solvation calculations.
double OEGetHonigIonicCavityRadius(unsigned int elemno)
Returns the effective ionic radius (defined in [Rashin-1985]) of each element to be used in solvation calculations.