Pylammpsmpi

Latest version: v0.2.26

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0.2.2

What's Changed
* Add SLURM backend by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/130
* Add CI timeout by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/132
* Use new pympipool interface by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/131


**Full Changelog**: https://github.com/pyiron/pylammpsmpi/compare/pylammpsmpi-0.2.1...pylammpsmpi-0.2.2

0.2.1

What's Changed
* Use RaisingThread from pympipool by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/123
* Add Documentation by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/124
* Remove the need to call start_process() manually by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/126
* Bump pympipool from 0.5.5 to 0.5.6 by dependabot in https://github.com/pyiron/pylammpsmpi/pull/127
* Move the ASE compatible interface from pyiron_lammps to pylammpsmpi by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/129


**Full Changelog**: https://github.com/pyiron/pylammpsmpi/compare/pylammpsmpi-0.2.0...pylammpsmpi-0.2.1

0.2.0

What's Changed
* Test latest LAMMPS version by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/109
* Bump pympipool from 0.5.0 to 0.5.1 by dependabot in https://github.com/pyiron/pylammpsmpi/pull/110
* Implement __dir__() method by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/112
* Remove _send() and _receive() by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/113
* Move socket initialization to a separate function by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/117
* Flux support by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/116
* Add flux backend support in lammps wrapper by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/118
* flux implementation - support communication over the network by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/119
* Depend only on pympipool not on pyzmq by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/120
* Fix pympipool import by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/121
* Bump pympipool from 0.5.2 to 0.5.4 by dependabot in https://github.com/pyiron/pylammpsmpi/pull/122
* Implement Concurrent Lammps class by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/115


**Full Changelog**: https://github.com/pyiron/pylammpsmpi/compare/pylammpsmpi-0.1.2...pylammpsmpi-0.2.0

0.1.2

What's Changed
* Update UpdateDependabotPR.yml by niklassiemer in https://github.com/pyiron/pylammpsmpi/pull/107
* update pympipool to 0.5.0 by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/108


**Full Changelog**: https://github.com/pyiron/pylammpsmpi/compare/pylammpsmpi-0.1.1...pylammpsmpi-0.1.2

0.1.1

What's Changed
* close connection by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/98
* Bump pyzmq from 25.0.0 to 25.0.1 by dependabot in https://github.com/pyiron/pylammpsmpi/pull/99
* Bump pyzmq from 25.0.1 to 25.0.2 by dependabot in https://github.com/pyiron/pylammpsmpi/pull/100
* Bump pyzmq from 25.0.2 to 25.1.0 by dependabot in https://github.com/pyiron/pylammpsmpi/pull/104
* Fix create_atoms() by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/103
* Use pympipool socket interface by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/106
* Make MPI functions accessible for external scripts by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/105


**Full Changelog**: https://github.com/pyiron/pylammpsmpi/compare/pylammpsmpi-0.1.0...pylammpsmpi-0.1.1

0.1.0

What's Changed
* Communicated via zmq by jan-janssen in https://github.com/pyiron/pylammpsmpi/pull/97


**Full Changelog**: https://github.com/pyiron/pylammpsmpi/compare/pylammpsmpi-0.0.10...pylammpsmpi-0.1.0

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