`QCOutput` should parse the full Q-Chem version

[Andrew-S-Rosen]

Feature Requested

Right now, the Q-Chem QCOutput parser has a very rudimentary way of getting the version and only reports the major version, e.g. "6" instead of "6.1.1". It should report the full version. Note that 6.0 is reported as "6.0" and not "6.0.0".

from pymatgen.io.qchem.outputs import QCOutput

data = QCOutput("...").data
print(data["version"])

Proposed Solution

The string to try to capture is the version in something like "Q-Chem 6.1.1 for Intel X86 EM64T Linux".

Relevant Information

No response