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134 Open 1,109 Closed
134 Open 1,109 Closed
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Issues list

determine crystal space group error bug
#3844 opened May 23, 2024 by baigeiguai
Support parsing of NBANDS from a VASP OUTCAR file enhancement A new feature or improvement to an existing one
#3843 opened May 21, 2024 by Andrew-S-Rosen
Adapt LobsterSets to latest potcars enhancement A new feature or improvement to an existing one
#3840 opened May 20, 2024 by JaGeo
GaussianOutput.read_excitation_energies() method for obtaining TDDFT results ([(energie (eV), lambda (nm), oscillatory strength), ... ]) error bug
#3839 opened May 20, 2024 by xinglong-zhang
Incorrect letter cases for memory in core.units
#3833 opened May 16, 2024 by DanielYang59
.as_dict() method on VaspInput causes an AttributeError bug
#3821 opened May 12, 2024 by Andrew-S-Rosen
Check inputs provided to MPRester functions enhancement A new feature or improvement to an existing one
#3818 opened May 9, 2024 by tschaume
Argument check_occu is not working as intended (in _get_structure and parse_structures) bug
#3816 opened May 9, 2024 by KunhuanLiu
1
15
Bug in core.composition comparison
#3815 opened May 9, 2024 by DanielYang59
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
2
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
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