I have gaussian 16 and python 3. Can I use this code?

gaox-qd / pysoc

PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+

https://github.com/jzpathfinder/pysoc

Apache License 2.0

36 stars 7 forks source link

I have gaussian 16 and python 3. Can I use this code? #6

Open BidhanChandra opened 4 years ago

gaox-qd commented 4 years ago

In principle, yes. In current version, no...

BidhanChandra commented 4 years ago

Can you please suggest me anything how to do it?

gaox-qd commented 4 years ago

Basically one needs to modify a little bit on the interface (soc.py) to G16 and python 3... I would probably update this part in the future, but I havn't got time now... Sorry for that...