adding the files from my rewrite

Rafael-G-C / pyDFTD3

Python version of Grimme's D3-dispersion correction for Gaussian input/output

http://www.patonlab.com

MIT License

3 stars 1 forks source link

Closed bast closed 3 years ago

bast commented 3 years ago

for the moment in a separate folder but later we can move them to the right place, aligning with the rest
at this moment not connected to automated testing

ringholm commented 3 years ago

I see all tests passing and you have already presented this to us, so I assume that all is in order here - great work

bast commented 3 years ago

It works but we need to connect this to automated testing as a follow-up.