Running PCM calculation with Psi4 module

1

I am interested in performing geometry optimization with PCM turned ON. While I found information on how to set PCM options in the input file, I am interesting in doing the same with Psi4 module in python. Is this possible? If so, can someone provide me with an example?

Best,
Hari

2

@robertodr do we have docs on the Python-style PCM setup?

3

There’s a Python-style PCM input here. But that’s a single point/energy. Are optimizations expected to work @robertodr, even finite difference? I was thinking not.