[cclib-users] gamessparser

[Alexis O. C. <ao...@is...>]

Hi all

I tried to use cclib to extract information of Gamess log files, but have met with the following

Traceback (most recent call last):
  File "/usr/local/bin/ccget", line 180, in <module>
    ccget()
  File "/usr/local/bin/ccget", line 153, in ccget
    data = ccread(filename, **kwargs)
  File "/usr/local/lib/python2.7/dist-packages/cclib/parser/ccio.py", line 107, in ccread
    return log.parse()
  File "/usr/local/lib/python2.7/dist-packages/cclib/parser/logfileparser.py", line 309, in parse
    self.extract(inputfile, line)
  File "/usr/local/lib/python2.7/dist-packages/cclib/parser/gamessparser.py", line 968, in extract
    self.mocoeffs[0][base+j, i] = float(coeffs[j * 11:(j + 1) * 11])
ValueError: could not convert string to float: B

How I can solve it?

cclib version 1.4


Instituto Superior Minero Metalúrgico de Moa Dr. Antonio Núñez Jiménez
40 años al servicio de la docencia, la investigación y la innovación tecnológica