Related Issues (20)
- [Dev] Tests for `Bader` not running properly HOT 12
- `Structure.replace_species` leaves label intact resulting in confusing/misleading label HOT 1
- My kernel keeps dying when importing CifParser HOT 8
- Robustness of `Poscar` parser should be further improved HOT 4
- Improper parsing of `METAGGA` flag in `Vasprun` parser HOT 3
- `MSONAtoms` may not serialize appropriately if the `.info` flag is populated HOT 1
- POTCAR setting problem HOT 1
- Bug in `ResWriter._ions_from_sites` in `pymatgen.io.res` HOT 5
- get_pmg_structure returns magnetic moments under site_properties key "magnetic_moments" instead of "magmom" HOT 2
- Create monolayer MoS2 from the bulk.
- Has the `CoherentInterfaceBuilder` class considered the issue of deduplication for equivalent structures?
- [Dev] Multiple dependencies for CI missing HOT 5
- Fatband plot with lobster: not only vasp should be supported
- Ion.oxi_state_guesses fails for 'Br' or 'Br(aq)'
- [Dev] Unify all docstrings to Google-Styled HOT 2
- All the Potentials are not written properly HOT 4
- adding structure's MP ID to web site structure export files HOT 2
- Incorrect Parsing of OSZICAR with VASP 6.3.2
- printing labels from PeriodicSite in cif file
- [Dev] Some methods do not have proper types or names HOT 2
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