def run(self, verbose=False):
    "Fit parameters to EOS at temperatures.\n\n        Even if fitting failed, simply omit the volume point. In this case,\n        the failed temperature point doesn't exist in the returned arrays.\n\n        "
    if verbose:
        print((('#%11s' + ('%14s' * 4)) % ('T', 'E_0', 'B_0', "B'_0", 'V_0')))
    num_elems = (self._get_num_elems(self._all_temperatures) + 1)
    if (num_elems > len(self._all_temperatures)):
        num_elems -= 1
    temperatures = []
    parameters = []
    free_energies = []
    for i in range(num_elems):
        if (self._electronic_energies.ndim == 1):
            el_energy = self._electronic_energies
        else:
            el_energy = self._electronic_energies[i]
        fe = [(ph_e + el_e) for (ph_e, el_e) in zip(self._fe_phonon[i], el_energy)]
        try:
            ep = fit_to_eos(self._volumes, fe, self._eos)
        except TypeError:
            print(('Fitting failure at T=%.1f' % self._all_temperatures[i]))
        if (ep is None):
            continue
        else:
            [ee, eb, ebp, ev] = ep
            t = self._all_temperatures[i]
            temperatures.append(t)
            parameters.append(ep)
            free_energies.append(fe)
            if verbose:
                print((('%14.6f' * 5) % (t, ep[0], (ep[1] * EVAngstromToGPa), ep[2], ep[3])))
    self._free_energies = np.array(free_energies)
    self._temperatures = np.array(temperatures)
    self._equiv_parameters = np.array(parameters)
    self._equiv_volumes = np.array(self._equiv_parameters[:, 3])
    self._equiv_energies = np.array(self._equiv_parameters[:, 0])
    self._equiv_bulk_modulus = np.array((self._equiv_parameters[:, 1] * EVAngstromToGPa))
    self._num_elems = len(self._temperatures)
    self._set_thermal_expansion()
    self._set_heat_capacity_P_numerical()
    self._set_heat_capacity_P_polyfit()
    self._set_gruneisen_parameter()
    self._len = len(self._thermal_expansions)
    assert ((self._len + 1) == self._num_elems)
Fit parameters to EOS at temperatures.

Even if fitting failed, simply omit the volume point. In this case,
the failed temperature point doesn't exist in the returned arrays.
def run(self, verbose=False):
    "Fit parameters to EOS at temperatures.\n\n        Even if fitting failed, simply omit the volume point. In this case,\n        the failed temperature point doesn't exist in the returned arrays.\n\n        "
    if verbose:
        print((('#%11s' + ('%14s' * 4)) % ('T', 'E_0', 'B_0', "B'_0", 'V_0')))
    num_elems = (self._get_num_elems(self._all_temperatures) + 1)
    if (num_elems > len(self._all_temperatures)):
        num_elems -= 1
    temperatures = []
    parameters = []
    free_energies = []
    for i in range(num_elems):
        if (self._electronic_energies.ndim == 1):
            el_energy = self._electronic_energies
        else:
            el_energy = self._electronic_energies[i]
        fe = [(ph_e + el_e) for (ph_e, el_e) in zip(self._fe_phonon[i], el_energy)]
        try:
            ep = fit_to_eos(self._volumes, fe, self._eos)
        except TypeError:
            print(('Fitting failure at T=%.1f' % self._all_temperatures[i]))
        if (ep is None):
            continue
        else:
            [ee, eb, ebp, ev] = ep
            t = self._all_temperatures[i]
            temperatures.append(t)
            parameters.append(ep)
            free_energies.append(fe)
            if verbose:
                print((('%14.6f' * 5) % (t, ep[0], (ep[1] * EVAngstromToGPa), ep[2], ep[3])))
    self._free_energies = np.array(free_energies)
    self._temperatures = np.array(temperatures)
    self._equiv_parameters = np.array(parameters)
    self._equiv_volumes = np.array(self._equiv_parameters[:, 3])
    self._equiv_energies = np.array(self._equiv_parameters[:, 0])
    self._equiv_bulk_modulus = np.array((self._equiv_parameters[:, 1] * EVAngstromToGPa))
    self._num_elems = len(self._temperatures)
    self._set_thermal_expansion()
    self._set_heat_capacity_P_numerical()
    self._set_heat_capacity_P_polyfit()
    self._set_gruneisen_parameter()
    self._len = len(self._thermal_expansions)
    assert ((self._len + 1) == self._num_elems)