QChem: detect NLebdevPts error in QCOutput

[rkingsbury]

Summary

Detect need to increase the array of NLebdevPts error in QCOutput that can occur when computing RESP charges. Detecting this error is necessary to enable a handler in custodian. See custodian #170

[rkingsbury]

Note that there seems to be a new pylint error causing linting to fail on all PRs

************* Module pymatgen.entries.computed_entries
pymatgen/entries/computed_entries.py:700:8: E1101: Instance of 'ComputedStructureEntry' has no '_composition' member (no-member)

[coveralls]

Coverage decreased (-0.6%) to 83.079% when pulling 7ff37b4 on rkingsbury:qcoutput_lebdevpts into 463e4f1 on materialsproject:master.

[shyuep]

You can try to fix this error? Technically, there should be a _compositon variable. If not, if you are sure this is purely a linter issue, you can set the ignore.

[mkhorton]

@shyuep this is not related to this PR, this is a pre-existing issue. I've taken a look at it already + will fix soon. I think it's just started appearing in logs because mypy is getting smarter.

[mkhorton]

Thanks @rkingsbury! Have merged since linter issue was unrelated to this PR and otherwise looks good. Will try to get linters passing in the main branch again soon.