pylammpsmpi 0.1.1

What's Changed

• close connection by @jan-janssen in #98
• Bump pyzmq from 25.0.0 to 25.0.1 by @dependabot in #99
• Bump pyzmq from 25.0.1 to 25.0.2 by @dependabot in #100
• Bump pyzmq from 25.0.2 to 25.1.0 by @dependabot in #104
• Fix create_atoms() by @jan-janssen in #103
• Use pympipool socket interface by @jan-janssen in #106
• Make MPI functions accessible for external scripts by @jan-janssen in #105

Full Changelog: pylammpsmpi-0.1.0...pylammpsmpi-0.1.1

pylammpsmpi 0.1.0

What's Changed

• Communicated via zmq by @jan-janssen in #97

Full Changelog: pylammpsmpi-0.0.10...pylammpsmpi-0.1.0

pylammpsmpi 0.0.10

What's Changed

• Bump mpi4py from 3.1.3 to 3.1.4 by @dependabot in #86
• Switch to main by @jan-janssen in #88
• Python311 by @jan-janssen in #89
• Merge with master by @jan-janssen in #92
• extract_compute() with MPI gather by @jan-janssen in #91
• Add tests for extract_compute() by @jan-janssen in #94
• extract_vairable() by @jan-janssen in #95

Full Changelog: pylammpsmpi-0.0.9...pylammpsmpi-0.0.10

pylammpsmpi 0.0.9

What's Changed

• Create .gitignore by @jan-janssen in #67
• Add black formating by @jan-janssen in #68
• Create UpdateDependabotPR.yml by @jan-janssen in #66
• Use mamba for CI by @jan-janssen in #69
• Bump mpi4py from 3.0.3 to 3.1.1 by @dependabot in #70
• Include suggestion from Thomas Nicholas by @jan-janssen in #71
• Bump mpi4py from 3.1.1 to 3.1.2 by @dependabot in #72
• Bump mpi4py from 3.1.2 to 3.1.3 by @dependabot in #73
• Black Fix by @jan-janssen in #75
• Use psf/black action directly by @niklassiemer in #76
• Add black formatting workflow by @niklassiemer in #79
• Try Python 3.10 by @jan-janssen in #74
• Rename generate_atoms to create_atoms by @jan-janssen in #80
• Update test by @jan-janssen in #82
• Allow custom cmdargs by @Leimeroth in #81
• Add long description by @jan-janssen in #84

New Contributors

• @niklassiemer made their first contribution in #76
• @Leimeroth made their first contribution in #81

Full Changelog: pylammpsmpi-0.0.8...pylammpsmpi-0.0.9

Open Source Release

Mainly to create DOI