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Commits on Jun 21, 2026
chore: update pre-commit (#199)
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danielsirakov
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Commits on Apr 3, 2026
precommit edits
cadenmyers13
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65d2729
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add input,expected to tests for adp getters
cadenmyers13
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rm np.float64 requirement from test
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Commits on Apr 2, 2026
remove ase fixtures
cadenmyers13
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rm ase adapter tests
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Merge branch 'main' of github.com:diffpy/diffpy.structure into ase-adapter
cadenmyers13
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Commits on Mar 27, 2026
Merge branch 'main' into v3.4.0
sbillinge
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Commits on Mar 25, 2026
fix minor bug in typeerror test
cadenmyers13
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cfae583
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Commits on Mar 24, 2026
add option to return ADPs as an array or dictionary
cadenmyers13
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update cartesian coordinate getter so it doesnt round
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make ase converter take str or list of strs
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add get_lattice_vectors, get_lattice_vector_angles and their respective tests
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Commits on Mar 23, 2026
get_occupancies test and func
cadenmyers13
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get_isotropic_displacement_parameters tests and func
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48c115e
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get_cartesian_coordinates function and test
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get_fractional_coordinates code and test
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get_chemical_symbols function and test
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Commits on Mar 14, 2026
fix: fix load_structure method with loading Path object.
stevenhua0320
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Commits on Mar 8, 2026
Merge pull request #181 from stevenhua0320/deprecate-atom
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sbillinge
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Commits on Mar 7, 2026
chore: rename variables to more explicit one, add test case descriptions.
stevenhua0320
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chore: change docstring
stevenhua0320
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chore: deprecate Atom class method
stevenhua0320
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e19e628
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chore: deprecate spacegroup method
stevenhua0320
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Commits on Mar 6, 2026
chore: deprecate expansion functional utilities method.
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chore: deprecate getParser method across all parsers format.
stevenhua0320
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70aa675
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Commits on Mar 4, 2026
chore: deprecate parseFile method
stevenhua0320
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00987ec
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Commits on Mar 3, 2026
chore: deprecate parseLines method in all parsers
stevenhua0320
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chore: deprecate utils method and private methods in parsers.
stevenhua0320
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84b879e
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Commits on Mar 2, 2026
chore: deprecate symmetryutilities method
stevenhua0320
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259532c
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Commits on Feb 28, 2026
chore: rename the function to increase readability
stevenhua0320
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chore: deprecate SymmetryConstraints class method
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Commits on Feb 26, 2026
chore: deprecate methods in GeneratorSite class
stevenhua0320
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a2e253a
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chore: deprecate method in GeneratorSite class
stevenhua0320
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Commits on Feb 25, 2026
chore: deprecate method in symmetryutilities
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