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Use Github Co-pilot to add Docstrings and Type Hints #316

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Aug 3, 2024
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37272d3
Use Github Co-pilot to add Docstrings and Type Hints
jan-janssen Aug 3, 2024
4deddf7
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Aug 3, 2024
8c5536b
some fixes
jan-janssen Aug 3, 2024
66f58f8
Merge branch 'copilot' of github.com:pyiron/atomistics into copilot
jan-janssen Aug 3, 2024
2f5332d
merge
jan-janssen Aug 3, 2024
b4f5043
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Aug 3, 2024
b75e479
more fixes
jan-janssen Aug 3, 2024
7ba5232
Merge branch 'copilot' of github.com:pyiron/atomistics into copilot
jan-janssen Aug 3, 2024
5b5c825
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Aug 3, 2024
5a4ac4d
more and more fixes
jan-janssen Aug 3, 2024
b236bb4
Merge remote-tracking branch 'refs/remotes/origin/copilot' into copilot
jan-janssen Aug 3, 2024
f2cccf7
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Aug 3, 2024
103abe1
remove matplotlib
jan-janssen Aug 3, 2024
9d1da6e
Merge branch 'copilot' of github.com:pyiron/atomistics into copilot
jan-janssen Aug 3, 2024
dff7549
remove recursive link
jan-janssen Aug 3, 2024
8d36e83
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Aug 3, 2024
18453a9
more type fixes
jan-janssen Aug 3, 2024
c87acdb
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Aug 3, 2024
55ee0b7
More and more type fixes
jan-janssen Aug 3, 2024
20a0afb
more fixes
jan-janssen Aug 3, 2024
ab2167f
more local debugging
jan-janssen Aug 3, 2024
ba12c71
fixes
jan-janssen Aug 3, 2024
b29ed9e
more fixes
jan-janssen Aug 3, 2024
c9db589
remove duplicated functions
jan-janssen Aug 3, 2024
cc3d4ce
Update tests
jan-janssen Aug 3, 2024
bf06866
Use mpich rather than openmpi
jan-janssen Aug 3, 2024
07cc09b
Switch to openmpi
jan-janssen Aug 3, 2024
c26d00f
Update thermal_expansion_with_lammps.ipynb
jan-janssen Aug 3, 2024
aa1090e
Update thermal_expansion_with_lammps.ipynb
jan-janssen Aug 3, 2024
ae90258
Delete .vscode/settings.json
jan-janssen Aug 3, 2024
950ab00
Update lammps_workflows.ipynb
jan-janssen Aug 3, 2024
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3 changes: 2 additions & 1 deletion .ci_support/environment-lammps.yml
Original file line number Diff line number Diff line change
@@ -1,7 +1,8 @@
channels:
- conda-forge
dependencies:
- lammps =2024.06.27
- lammps =2024.06.27=*openmpi*
- openmpi =4.1.6
- pandas =2.2.2
- pylammpsmpi =0.2.23
- jinja2 =3.1.4
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