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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

[Feature] Create custom `concurrent.futures.Executor` #111

Closed jan-janssen closed 1 year ago

jan-janssen commented 1 year ago

To enable the asynchronous development of simulation protocols, it would be great to create a custom concurrent.futures.Executor class. This class would represent one LAMMPS instance and the user can send different commands to this class, which are then executed in the background.