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Description
The qcmol MolSym Molecule:
O 0.00000000 0.00000000 -1.13383568
O 0.00000000 0.00000000 1.13383568
Traceback (most recent call last):
File "run.py", line 64, in
job.run_nosym()
File "/home/vulcan/nlk36701/github/QSymm/SORHF/rhf.py", line 30, in run_nosym
self.symtext = molsym.Symtext.from_molecule(qcmol)
File "/home/vulcan/nlk36701/github/another/steef_7/MolSym/molsym/symtext/symtext.py", line 63, in from_molecule
return Symtext(mol, rotate_to_std, reverse_rotate, pg, symels, atom_map, None, irreps, irrep_mat)
File "/home/vulcan/nlk36701/github/another/steef_7/MolSym/molsym/symtext/symtext.py", line 45, in init
self.get_character_table()
File "/home/vulcan/nlk36701/github/another/steef_7/MolSym/molsym/symtext/symtext.py", line 90, in get_character_table
cc.append(multiply(self.mult_table, sidx2, sidx, inverse(self.mult_table, sidx2)))
File "/home/vulcan/nlk36701/github/another/steef_7/MolSym/molsym/symtext/multiplication_table.py", line 160, in inverse
for i in range(mtable.shape[0]):
AttributeError: 'NoneType' object has no attribute 'shape'