Added ads_act_method parameter to write_surf and write_EA

VlachosGroup / pMuTT

Python Multiscale Thermochemistry Toolbox (pMuTT)

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

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Closed jonlym closed 4 years ago

jonlym commented 4 years ago

Added optional parameter, ads_act_method, to specify the method to use to calculate the activation energy of adsorption reactions. Addresses #146