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pyiron
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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
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Create .gitignore
#67
jan-janssen
closed
3 years ago
0
Create UpdateDependabotPR.yml
#66
jan-janssen
closed
3 years ago
4
Try to support latest lammps version
#65
jan-janssen
closed
3 years ago
3
Update environment.yml
#64
niklassiemer
closed
3 years ago
1
weekly dependency updates
#63
max-hassani
closed
3 years ago
0
Upgrade to GitHub-native Dependabot
#62
dependabot-preview[bot]
closed
3 years ago
0
Test pypi status using pip check
#61
jan-janssen
closed
3 years ago
0
CI: use channel-priority: strict
#60
jan-janssen
closed
3 years ago
0
Limit to Python 3.5
#59
jan-janssen
closed
3 years ago
0
Enforce strict dependencies for conda
#58
jan-janssen
closed
3 years ago
0
Change dependencies before upload to >=
#57
jan-janssen
closed
3 years ago
0
Bump mpi4py from 3.0.2 to 3.0.3
#56
dependabot-preview[bot]
closed
3 years ago
0
Have static dependences - prepare for Dependabot
#55
jan-janssen
closed
3 years ago
0
Create .coveralls.yml
#54
jan-janssen
closed
3 years ago
4
Protect master branch
#53
jan-janssen
closed
4 years ago
0
No pip update
#52
jan-janssen
closed
4 years ago
0
Test Python 3.9
#51
jan-janssen
closed
4 years ago
0
Use only Github Continuous Integration
#50
jan-janssen
closed
4 years ago
0
Use Github as primary CI
#49
jan-janssen
closed
4 years ago
1
Fix working_directory bug
#48
jan-janssen
closed
4 years ago
0
Dependabot couldn't authenticate with https://pypi.python.org/simple/
#47
dependabot-preview[bot]
closed
4 years ago
0
Add code of conduct
#46
jan-janssen
closed
4 years ago
0
Switch from pytest to unittest
#45
jan-janssen
closed
4 years ago
3
Hide internal classes in utils
#44
jan-janssen
closed
4 years ago
0
Reporting pylammpsmpi in publications/thesis etc
#43
srmnitc
closed
2 years ago
6
Output file locations when submitting to dask cluster
#42
srmnitc
closed
4 years ago
3
[Bug] Test core dependency
#41
jan-janssen
closed
1 year ago
5
[Idea] Add integration tests
#40
srmnitc
opened
4 years ago
0
Try to fix the compute bug
#39
jan-janssen
closed
4 years ago
0
Examples not working
#38
jan-janssen
closed
4 years ago
7
Mainly cosmetic changes
#37
jan-janssen
closed
4 years ago
1
Use mode local as default
#36
jan-janssen
closed
4 years ago
0
Communication with the MPI process
#35
jan-janssen
closed
4 years ago
4
Test deploy to pypi
#34
jan-janssen
closed
4 years ago
0
add travis once more
#33
srmnitc
closed
4 years ago
2
Dask integration
#32
srmnitc
closed
4 years ago
13
add return statements to force wait until a command execution is fini…
#31
srmnitc
closed
4 years ago
0
Waiting until a command is executed
#30
srmnitc
closed
4 years ago
4
Fix create atoms
#29
srmnitc
closed
4 years ago
0
[Feature] Communication of lammps errors
#28
srmnitc
opened
4 years ago
3
Using commands directly throws error
#27
srmnitc
closed
4 years ago
9
Python seems to automatically delete the subprocess
#26
srmnitc
closed
4 years ago
4
Add init file
#25
jan-janssen
closed
4 years ago
0
Strange problem
#24
srmnitc
closed
4 years ago
2
Update socket to master
#23
jan-janssen
closed
4 years ago
0
socket connection stuck
#22
srmnitc
closed
4 years ago
16
Python 2.7 is not supported
#21
jan-janssen
closed
4 years ago
0
Docs
#20
srmnitc
closed
4 years ago
0
Pip package broken
#19
jan-janssen
closed
4 years ago
2
Add versioneer
#18
jan-janssen
closed
4 years ago
0
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