Example of i-pi psi connection

lab-cosmo / i-pi-dev_archive

Development version of i-PI

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Example of i-pi psi connection #240

Open tomspur opened 6 years ago

tomspur commented 6 years ago

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 commented 6 years ago

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

ceriottm commented 5 years ago

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