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126 Open 1,106 Closed
126 Open 1,106 Closed
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Issues list

Monthly issue metrics report
#3795 opened May 1, 2024 by github-actions bot
Read in POSCAR with Structure.from_file seems slow? io Input/output functionality needs investigation Needs further research to pinpoint cause of issue vasp Vienna Ab initio Simulation Package
#3793 opened Apr 30, 2024 by DanielYang59
3
[Dev] datetime.datetime.utcnow() deprecated and replacement breaks strptime
#3791 opened Apr 29, 2024 by DanielYang59
Periodic boundary condition is not considered in the interpolator of VolumetricData bug
#3787 opened Apr 28, 2024 by goodwilling
1
Incompatibility Issue with ALGO Parameter in Incar and Vasprun Classes bug
#3780 opened Apr 23, 2024 by yanghan234
Atom labels in CIF file are silently rewritten by CifWriter bug
#3772 opened Apr 19, 2024 by fxcoudert
6
Numerical instability in lattice matrix operations : get_slabs / StructureMatcher / _cart_dists bug
#3747 opened Apr 11, 2024 by misko
Spacegroup P212121 does not give a valid pointgroup bug
#3735 opened Apr 3, 2024 by lopsided
ValueError:dictionary update sequence element #0 has length 1; 2 is required bug
#3731 opened Apr 2, 2024 by yjhao11
2
KPOINTS_OPT based one-shot calculation input files generation and the corresponding post-processing.
#3723 opened Mar 29, 2024 by hongyi-zhao
3
Duplicate atom generated with Structure.from_spacegroup bug
#3721 opened Mar 28, 2024 by LindaHung-TRI
Unexpected Tokenizing error when using parse_lammps_dumps bug
#3719 opened Mar 27, 2024 by kimiaGF
Default settings of Structure.relax() fails to synchronize tensor locations (CPU/GPU) on GPU-enabled environments bug
#3715 opened Mar 26, 2024 by jsukpark
1
printing labels from PeriodicSite in cif file bug
#3701 opened Mar 22, 2024 by AndresOrtegaGuerrero
Incorrect Parsing of OSZICAR with VASP 6.3.2 bug
#3699 opened Mar 20, 2024 by YunyeongChoi
adding structure's MP ID to web site structure export files enhancement A new feature or improvement to an existing one
#3698 opened Mar 20, 2024 by bernstei
2
All the Potentials are not written properly
#3695 opened Mar 18, 2024 by aakhiltayal
4
Ion.oxi_state_guesses fails for 'Br' or 'Br(aq)' bug
#3687 opened Mar 13, 2024 by rkingsbury
[Dev] Multiple dependencies for CI missing dependencies Dependency issues and PRs needs discussion Needs discussion to agree on actionable next steps tests Issues about the pymatgen test suite
#3684 opened Mar 10, 2024 by DanielYang59
6 of 13 tasks
1
5
Has the CoherentInterfaceBuilder class considered the issue of deduplication for equivalent structures?
#3683 opened Mar 9, 2024 by hongyi-zhao
Create monolayer MoS2 from the bulk.
#3682 opened Mar 9, 2024 by hongyi-zhao
POTCAR setting problem bug
#3669 opened Mar 4, 2024 by lihaojie87
1
VASP noncollinear Wavecar read error bug
#3640 opened Feb 22, 2024 by wladerer
1
Error when initializing Vasprun when LDAUL/J or MAGMOM exception triggers bug
#3622 opened Feb 13, 2024 by fyalcin
Should we let the StructureMatcher method work at the affine space group classification level instead of the crystallographic space group classification level? analysis Concerning pymatgen.analysis needs discussion Needs discussion to agree on actionable next steps symmetry Space groups and the like
#3612 opened Feb 8, 2024 by hongyi-zhao
5
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