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Published 20 hours ago • verified publisher icon lab-cosmo

Example of i-pi psi connection

Open tomspur opened this issue 6 years ago • 2 comments

This PR adds a small python Client class, which can be used in other codes to easily implement a new force driver as well as adds input files to provide an example to run i-pi together with psi.

I'll also open a pull request to psi and get the rest of this connection implemented on the other side as well.

tomspur avatar Jun 27 '18 21:06 tomspur

The PR for inclusion in psi can be found here: https://github.com/psi4/psi4/pull/1057

tomspur avatar Jun 27 '18 22:06 tomspur

@venkatkapil24 and @OndrejMarsalek can you also look into this? seems another quick merger

ceriottm avatar Sep 06 '18 07:09 ceriottm