pyiron/pylammpsmpi

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Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based on executorlib

Stars: 38
Forks: 6
Open beginner issues: 0
Indexed issues: 5
Avg merge: 1h 50m
Merged PRs (30d): 6

Dominant language: Python
License: BSD-3-Clause
Last GitHub push: Sep 14, 2026
Latest indexed: Sep 19, 2026
Contributing guide: No contributing guide
Code of conduct: Code of conduct
Beginner labels: No beginner labels indexed

Beginner friendly Everything

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5 open issues indexed

[Documentation] Add an example to control LAMMPS running on multiple compute nodes Open

Difficulty 2/5 1-3 hours Newbie friendliness 68/100

pyiron/pylammpsmpi#482 · Opened Jul 16, 2026
[Feature] The LammpsASELibrary class does not support delayed execution Open

Difficulty 3/5 1-2 days Newbie friendliness 52/100

pyiron/pylammpsmpi#471 · Opened Jul 8, 2026
[Documentation] Usage of pylammpsmpi Open

Difficulty 4/5 3-5 days Newbie friendliness 25/100

pyiron/pylammpsmpi#326 · Opened May 22, 2025
[Enhancement] implement file based interface Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

pyiron/pylammpsmpi#308 · Opened Mar 6, 2025
[Feature] leverage triclinic cell support in LAMMPS Open

Difficulty 5/5 Over a week Newbie friendliness 15/100

pyiron/pylammpsmpi#201 · Opened May 4, 2024

pyiron/pylammpsmpi

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