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
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
