def _set_heat_capacity_P_numerical(self):
    cp = []
    g = ((np.array(self._equiv_energies) * EvTokJmol) * 1000)
    cp.append(0.0)
    for i in range(1, (self._num_elems - 1)):
        t = self._temperatures[i]
        parameters = np.polyfit(self._temperatures[(i - 1):(i + 2)], g[(i - 1):(i + 2)], 2)
        cp.append(((- (2 * parameters[0])) * t))
    self._cp_numerical = cp
def _set_heat_capacity_P_numerical(self):
    cp = []
    g = ((np.array(self._equiv_energies) * EvTokJmol) * 1000)
    cp.append(0.0)
    for i in range(1, (self._num_elems - 1)):
        t = self._temperatures[i]
        parameters = np.polyfit(self._temperatures[(i - 1):(i + 2)], g[(i - 1):(i + 2)], 2)
        cp.append(((- (2 * parameters[0])) * t))
    self._cp_numerical = cp