Related Issues (20)
- Collect possible issues might come with Python 3.12
- Incompatibility Issue with ALGO Parameter in Incar and Vasprun Classes
- Periodic boundary condition is not considered in the interpolator of VolumetricData HOT 1
- [Dev] `datetime.datetime.utcnow()` deprecated and replacement breaks `strptime`
- Read in POSCAR with `Structure.from_file` seems slow? HOT 3
- `get_points_in_sphere()` has inconsistent return types HOT 1
- Monthly issue metrics report
- StructureMatcher might be wrong when used to check if two structures are equal. HOT 3
- Bug in `core.composition` comparison
- Argument `check_occu` is not working as intended (in `_get_structure` and `parse_structures`) HOT 15
- Check inputs provided to MPRester functions
- `.as_dict()` method on `VaspInput` causes an `AttributeError`
- A minor document error in `POTCAR Setup`.
- Incorrect letter cases for memory in `core.units`
- GaussianOutput.read_excitation_energies() method for obtaining TDDFT results ([(energie (eV), lambda (nm), oscillatory strength), ... ]) error
- Adapt LobsterSets to latest potcars
- Support parsing of NBANDS from a VASP OUTCAR file
- determine crystal space group error
- Incorrect SpaceGroup symbol attribute for 16 space group types HOT 5
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