chemparseplot 1.5.0__tar.gz → 1.5.1__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.
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/PKG-INFO +1 -1
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/_version.py +2 -2
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/plot/neb.py +2 -3
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/.gitignore +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/LICENSE +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/__init__.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/__init__.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/chemgp_hdf5.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/chemgp_jsonl.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/converter.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/eon/__init__.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/eon/dimer_trajectory.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/eon/gprd.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/eon/min_trajectory.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/eon/minimization.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/eon/neb.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/eon/saddle_search.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/file_.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/neb_utils.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/orca/__init__.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/orca/geomscan.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/orca/neb/__init__.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/orca/neb/interp.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/orca/neb/opi_parser.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/patterns.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/plumed.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/projection.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/sella/saddle_search.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/trajectory/__init__.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/trajectory/hdf5.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/parse/trajectory/neb.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/plot/__init__.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/plot/chemgp.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/plot/geomscan.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/plot/optimization.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/plot/plumed.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/plot/structs.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/plot/theme.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/units.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/chemparseplot/util.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/pyproject.toml +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/readme.md +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/conftest.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/parse/orca/test_geomscan.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/parse/orca/test_interp.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/parse/test_chemgp_hdf5.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/parse/test_converter.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/parse/test_dimer_trajectory.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/parse/test_min_trajectory.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/parse/test_neb_utils.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/parse/test_patterns.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/parse/test_plumed.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/parse/test_projection.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/parse/test_trajectory_hdf5.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/parse/test_trajectory_neb.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/plot/__init__.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/plot/test_chemgp_utils.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/plot/test_neb_renderers.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/plot/test_optimization.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/plot/test_projection_refactor.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/plot/test_strip_rendering.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/test_coverage_batch.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/test_full_coverage.py +0 -0
- {chemparseplot-1.5.0 → chemparseplot-1.5.1}/tests/tutorials/test_chemparseplot.py +0 -0
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Metadata-Version: 2.4
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Name: chemparseplot
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Version: 1.5.
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Version: 1.5.1
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Summary: Parsers and plotting tools for computational chemistry
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Project-URL: Documentation, https://chemparseplot.rgoswami.me
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Project-URL: Issues, https://github.com/HaoZeke/chemparseplot/issues
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commit_id: COMMIT_ID
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__commit_id__: COMMIT_ID
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__version__ = version = '1.5.
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__version_tuple__ = version_tuple = (1, 5,
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__version__ = version = '1.5.1'
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__version_tuple__ = version_tuple = (1, 5, 1)
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__commit_id__ = commit_id = None
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xg_1d = np.linspace(
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s_min - (s_max - s_min) * 0.1, s_max + (s_max - s_min) * 0.1, 150
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yg_1d = np.linspace(d_center - y_half, d_center + y_half, 150)
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