thermo.py 文件源码

def _integrate(self, y, f):
        """
        Integrate `y` along axis=1, i.e. over freq axis for all T.

        Parameters
        ----------
        y : 2d array (nT, ndos) where nT = len(self.T), ndos = len(self.dos)
        f : self.f, (len(self.dos),)

        Returns
        -------
        array (nT,)
        """
        mask = np.isnan(y)
        if mask.any():
            self._printwarn("HarmonicThermo._integrate: warning: "
                            " %i NaNs found in y!" %len(mask))
            if self.fixnan:
                self._printwarn("HarmonicThermo._integrate: warning: "
                                "fixing %i NaNs in y!" %len(mask))
                y[mask] = self.nanfill
        # this call signature works for scipy.integrate,{trapz,simps}
        return self.integrator(y, x=f, axis=1)