Incorrect conversion factor for Hartree to J

VlachosGroup / pMuTT

Python Multiscale Thermochemistry Toolbox (pMuTT)

https://vlachosgroup.github.io/pMuTT/

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Incorrect conversion factor for Hartree to J #137

Closed jonlym closed 4 years ago

jonlym commented 4 years ago

The current conversion factor for Hartree in pmutt.io.constants.convert_unit is off by a factor of 100. (VUnits seems to have the correct conversion factor)