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Commits on Jan 24, 2025

• Avoid using full equality (==) to compare float, avoid assert_array_equal compare float array (#4159)

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Commits on Jan 18, 2025

• Clean up io.vasp.outputs.Outcar docstring (#4160)

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Commits on Jan 9, 2025

• [Breaking/Fix] Skip isotopes when iterating through core.Element (#4180)

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• Explicit UTF-8 encoding for VASP input files with zopen, and open for other text files (#4218)

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• Fix array comparison in core.Structure.merge_sites, also allow int property to be merged instead of float alone, mode only allow full name (#4198)

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• Clean up util.num.make_symmetric_matrix_from_upper_tri and util.io_util.micro_pyawk, fix new ruff errors (#4192)

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• Remove unnecesary isotope conversion in core.periodic_table.get_el_sp (#4193)

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• Change get default from empty list ([]) to False when used as bool or condition check for Outcar parsing methods (#4196)

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• Reapply zopen explicit UTF-8 encoding, enable optional EncodingWarning PEP 597 in tests (#4222)

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• Fix ion formula check in ion_or_solid_comp_object of analysis.pourbaix_diagram (#4233)

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Commits on Jan 7, 2025

• Fix CI failure for io.exciting.inputs owing to scipy constant update (#4244)

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Commits on Dec 31, 2024

• Bump phonopy to apply fix for NumPy 2 in Windows (#4227)

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• Replace some deprecated API (#4228)

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• Drop GULP libs from code base (#4234)

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Commits on Dec 12, 2024

• Skip another failing Phonopy test in Windows after NumPy bumped to 2 in CI (#4224)

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Commits on Dec 11, 2024

• Fix CI failure: bump netcdf4, replace Namespace with standard dict for io.abinit.pseudos (#4223)

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• Fix NumPy array indexing in 32-bit system in analysis.chemenv.coordination_environments (#4194)

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• Fix VASP/ABINIT link in main README.md (#4201)

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• Read NBANDS in io.vasp.outputs.Outcar init (#4195)

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• Fix uv pip install from binary distribution (wheels) usage (#4210)

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• Remove redundant total_ordering decorator usage (#4203)

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• Fix assert_str_content_equal, add tests for testing utils (#4205)

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• Increase warnings stacklevel to 2, un-ignore RUFF B028 (#4217)

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• zopen: explicit binary/text mode , and explicit encoding as UTF-8 (#4219)

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Commits on Nov 16, 2024

• Cleanup codespell ignore patterns (#4175)

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Commits on Nov 15, 2024

• Clean up CONTRIBUTING.md docs and change _is_named_isotope getattr default value (#4174)

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Commits on Nov 13, 2024

• Revert breaking analysis.local_env default_op_params/cn_opt_params rename (#4151)

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• Use binary distribution (wheels) to install pymatgen in test suite (#4073)

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• bump monty to use the monty.json import speedup patch, add import time regression test, lazy load some rarely used but costly modules (#4128)

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• Add min "thickness" check in CifParser to filter invalid structure which leads to infinite loop (#4133)

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• Improve element mismatch handling with POTCAR for Poscar.from_file/str (#4143)

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• Replace hard-coded np.allclose/isclose and math.isclose (for complex expression) (#4164)

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Commits on Nov 12, 2024

• Read INCAR SYSTEM as is, check_params use proc_val (#4136)

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• Show FutureWarning and DeprecationWarning for pytest (#4138)

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• Fix borg.hive.SimpleVaspToComputedEntryDrone.assimilate ValueError when core file missing (#4154)

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