"is not" is no longer valid in python 3.8+

PCMSolver / pcmsolver

An API for the Polarizable Continuum Model

http://pcmsolver.readthedocs.io/

GNU Lesser General Public License v3.0

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Closed rolfheil closed 3 years ago

rolfheil commented 3 years ago

"is not" on line 473 in tools/pcmparser.py is no longer valid in python 3.8+

Error causes the program to crash.

"is not" should be replaced by "!="