Skip to content
This repository has been archived by the owner on Jan 31, 2024. It is now read-only.

Example of i-pi psi connection #240

Open
wants to merge 1 commit into
base: master
Choose a base branch
from
Open

Example of i-pi psi connection #240

wants to merge 1 commit into from

Conversation

tomspur
Copy link
Collaborator

@tomspur tomspur commented Jun 27, 2018

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 tomspur force-pushed the psi_example branch 2 times, most recently from fbd90c4 to 51319f0 Compare June 27, 2018 21:56
@tomspur
Copy link
Collaborator Author

tomspur commented Jun 27, 2018

The PR for inclusion in psi can be found here: psi4/psi4#1057

@ceriottm
Copy link
Collaborator

ceriottm commented Sep 6, 2018

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

Sign up for free to subscribe to this conversation on GitHub. Already have an account? Sign in.
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

2 participants