def read_minimum(self, fin): """ the minima and transition states are stored as 1 line with energy 1 line with point group info natoms lines with eigenvalues natoms lines with coords """ res = Result() # read energy line = self.get_next_line() # print line res.energy = float(line.split()[0]) # ignore the line with the point group line = self.get_next_line() res.eigenvalues = self.read_coords(fin) res.coords = self.read_coords(fin) return res