van Der Waals correction will be unavailable. Please install ased3

isayev / ASE_ANI

ANI-1 neural net potential with python interface (ASE)

MIT License

220 stars 56 forks source link

Closed UnixJunkie closed 11 months ago

UnixJunkie commented 11 months ago

Ok, how do I install ased3 then?

UnixJunkie commented 11 months ago

Any pip package or else?

UnixJunkie commented 11 months ago

Fixed by:

git clone https://github.com/ehermes/ased3.git
cd ased3
pip3 install .