[cclib-users] About gamessparser in cclib

[Otero C. <ao...@is...>]

Hi,

I found an error in gamessparser, trying to extract the molecular orbital coefficients. In line 844 where says 
if line.find ("EIGENVECTORS") == 10 or line.find ("MOLECULAR OBRITALS") == 10: 
must be 
if line.find ("EIGENVECTORS") == 10 or line.find ("MOLECULAR ORBITALS") == 10:

The error is in O B R I T A L S where should be O R B I T A L S ... I modified the code and wrote ORBITALS but does not work, when I try to find the coefficients is not possible, that is for example, mocoeffs is always zero.

Thanks,
  Alexis

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