lammpsparser 0.0.5__tar.gz → 0.0.6__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/PKG-INFO +3 -3
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/pyproject.toml +2 -2
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/src/lammpsparser/_version.py +2 -2
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/.gitignore +0 -0
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/LICENSE +0 -0
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/README.md +0 -0
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/src/lammpsparser/__init__.py +0 -0
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/src/lammpsparser/compatibility/__init__.py +0 -0
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/src/lammpsparser/compatibility/calculate.py +0 -0
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/src/lammpsparser/compatibility/constraints.py +0 -0
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/src/lammpsparser/compatibility/data.py +0 -0
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/src/lammpsparser/compatibility/file.py +0 -0
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/src/lammpsparser/compatibility/output.py +0 -0
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/src/lammpsparser/compatibility/structure.py +0 -0
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/src/lammpsparser/output.py +0 -0
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/src/lammpsparser/output_raw.py +0 -0
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/src/lammpsparser/potential.py +0 -0
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/src/lammpsparser/structure.py +0 -0
- {lammpsparser-0.0.5 → lammpsparser-0.0.6}/src/lammpsparser/units.py +0 -0
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@@ -1,6 +1,6 @@
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Metadata-Version: 2.4
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Name: lammpsparser
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Version: 0.0.
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Version: 0.0.6
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Summary: Vector-oriented LAMMPS interface to rapidly iterate over series of atomistic structures or interatomic potentials.
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Project-URL: Homepage, https://github.com/pyiron/lammpsparser
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Project-URL: Documentation, https://github.com/pyiron/lammpsparser
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@@ -49,12 +49,12 @@ Classifier: Programming Language :: Python :: 3.13
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Classifier: Programming Language :: Python :: 3.14
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Classifier: Topic :: Scientific/Engineering :: Physics
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Requires-Python: <3.15,>=3.9
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Requires-Dist: ase<=3.
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Requires-Dist: ase<=3.29.0,>=3.22.1
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Requires-Dist: numpy<=2.4.6,>=1.26.0
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Requires-Dist: pandas<=3.0.3,>=2.0.3
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Requires-Dist: scipy<=1.17.1,>=1.11.1
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Provides-Extra: compatibility
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Requires-Dist: structuretoolkit<=0.0.
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Requires-Dist: structuretoolkit<=0.0.45,>=0.0.30; extra == 'compatibility'
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Provides-Extra: h5md
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Requires-Dist: h5py<=3.16.0,>=3.9.0; extra == 'h5md'
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Description-Content-Type: text/markdown
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@@ -34,7 +34,7 @@ classifiers = [
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"Programming Language :: Python :: 3.14",
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]
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dependencies = [
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"ase>=3.22.1,<=3.
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"ase>=3.22.1,<=3.29.0",
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"numpy>=1.26.0,<=2.4.6",
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"pandas>=2.0.3,<=3.0.3",
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"scipy>=1.11.1,<=1.17.1",
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@@ -48,7 +48,7 @@ Repository = "https://github.com/pyiron/lammpsparser"
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[project.optional-dependencies]
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h5md = ["h5py>=3.9.0,<=3.16.0"]
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compatibility = ["structuretoolkit>=0.0.30,<=0.0.
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compatibility = ["structuretoolkit>=0.0.30,<=0.0.45"]
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[tool.hatch.build]
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include = [
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@@ -18,7 +18,7 @@ version_tuple: tuple[int | str, ...]
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commit_id: str | None
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__commit_id__: str | None
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__version__ = version = '0.0.
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__version_tuple__ = version_tuple = (0, 0,
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__version__ = version = '0.0.6'
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__version_tuple__ = version_tuple = (0, 0, 6)
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__commit_id__ = commit_id = None
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