VlachosGroup / pMuTT

Python Multiscale Thermochemistry Toolbox (pMuTT)
https://vlachosgroup.github.io/pMuTT/
41 stars 23 forks source link

Update get_q_act #163

Closed wittregr closed 4 years ago

wittregr commented 4 years ago

Update get_q_act default include_ZPE=False but leave include_ZPE as a user configurable option.

jonlym commented 4 years ago

Changes look great, @wittregr! I edited the pull request to merge into the development branch instead of the master branch.