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181 Open 1,178 Closed
181 Open 1,178 Closed
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Issues list

Parsing Failure of vasprun.xml from MD Simulations Using MLFF bug
#4200 opened Nov 26, 2024 by yutoml
Structure.merge_sites fails when selective_dynamics is property present bug
#4197 opened Nov 25, 2024 by yantar92
1
1
Poscar.get_str() cartesian vs direct coords bug
#4188 opened Nov 21, 2024 by Mikluki
1
CP2K input set creation (error with basis set/potential finding for given structure) bug
#4186 opened Nov 20, 2024 by msiron-entalpic
1
Timeout in MagneticStructureEnumerator (and EnumlibAdaptor) does not work bug
#4185 opened Nov 20, 2024 by fraricci
Default values replace the custom input ones in MagneticStructureEnumerator
#4184 opened Nov 19, 2024 by fraricci
What's the correct way to use the MAGMOM's value when using MP API data?
#4173 opened Nov 15, 2024 by hongyi-zhao
10 tests error out because they fail to find some files bug
#4172 opened Nov 14, 2024 by yurivict
1
[BUG] Missing () in electronic_structure.boltztrap.BoltztrapAnalyzer.get_extreme.is_isotropic
#4165 opened Nov 11, 2024 by DanielYang59
A few functions use unrounded float as dict keys
#4162 opened Nov 10, 2024 by DanielYang59
coordination_geometry int64 indices breaks on 32-bit systems bug
#4161 opened Nov 9, 2024 by drew-parsons
1
4
tests use equality to compare floating point numbers
#4158 opened Nov 8, 2024 by drew-parsons
1
1
Monthly issue metrics report
#4149 opened Nov 1, 2024 by github-actions bot
Add CUDA functionality to parse_lammps_dumps to allow for NVIDIA GPU support when analyzing large dump files. enhancement A new feature or improvement to an existing one
#4125 opened Oct 19, 2024 by kimiaGF
Glob logic with bader_analysis_from_path is error-prone bug
#4089 opened Oct 1, 2024 by Andrew-S-Rosen
Monthly issue metrics report
#4088 opened Oct 1, 2024 by github-actions bot
pymatgen fails to load MPRester bug
#4077 opened Sep 23, 2024 by jjkas
6
More Flexible Vasprun Parsing enhancement A new feature or improvement to an existing one
#4075 opened Sep 20, 2024 by kavanase
Fix ruff PERF401 help wanted Help wanted linting Linting and quality assurance
#4064 opened Sep 13, 2024 by janosh
get_band_structure_from_vasp_multiple_branches bug
#4060 opened Sep 11, 2024 by Nokimann
1
1
[Docs] Automate docs generation and exclude HTML from main branch best practice Discussion/changes of best practices ci Continuous integration docs Documentation, examples, user guides
#4056 opened Sep 9, 2024 by DanielYang59
2 tasks
[BUG] Entire BoltztrapPlotter is broken bug data viz PRs and issues about pymatgen plotting functionality
#4045 opened Sep 6, 2024 by DanielYang59
Free energy correction enhancement A new feature or improvement to an existing one
#4043 opened Sep 5, 2024 by shyuep
@shyuep
[Enhancement] Update incar_parameters.json file under io.vasp feature request Request for a new feature io Input/output functionality vasp Vienna Ab initio Simulation Package
#4042 opened Sep 5, 2024 by DanielYang59
[Enhancement] Enable terminate_on_match for Outcar parser
#4041 opened Sep 5, 2024 by DanielYang59
1
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