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patonlab / GoodVibes

Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
http://www.patonlab.colostate.edu
MIT License
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Fix reading of multiplicities >= 10 #30

Closed Andrew-S-Rosen closed 4 years ago

Andrew-S-Rosen commented 4 years ago

This address #29. If multiplicity >= 10, then there is no space between the = sign and multiplicity (e.g. Charge = 0 Multiplicity =15), which led to an I/O error. Now fixed.