A bug in "find_orthorhombic_pbc(M)" about gosam

[GoogleCodeExporter]

BTW, The error messages are:


Traceback (most recent call last):
  File "./bicrystal.py", line 395, in <module>
    main()
  File "./bicrystal.py", line 308, in main
    assert (numpy.abs(invrot - linalg.inv(rot)) < 1e-9).all(), "%s != %s" % (
  File "/usr/lib/python2.7/dist-packages/numpy/linalg/linalg.py", line 445, in inv
    return wrap(solve(a, identity(a.shape[0], dtype=a.dtype)))
  File "/usr/lib/python2.7/dist-packages/numpy/linalg/linalg.py", line 328, in solve
    raise LinAlgError, 'Singular matrix'
numpy.linalg.linalg.LinAlgError: Singular matrix

Original comment by [email protected] on 5 Jun 2012 at 6:02

[wojdyr]

thanks @xueqilsj
i'm fixing it now, three years later