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pyiron / pylammpsmpi

Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
https://pylammpsmpi.readthedocs.io
BSD 3-Clause "New" or "Revised" License
30 stars 4 forks source link

Use pympipool socket interface #106

Closed jan-janssen closed 1 year ago

srmnitc commented 1 year ago

Maybe if major changes are planned it might be good to make a tag, and a release. So I can peg calphy to that, and test and update as new changes come out.

jan-janssen commented 1 year ago

Maybe if major changes are planned it might be good to make a tag, and a release. So I can peg calphy to that, and test and update as new changes come out.

I do not think these changes are major it is basically just about moving redundant internal code which we previously had in both pympipool and pylammpsmpi to just pympipool and have pylammpsmpi depend on pympipool. Still I agree once the two open pull requests are merged I am going to create a new release.