Related Issues (20)
- Save Velocities
- retry if file locked
- Can not read lammps through ASE with charges
- support pathlib
- make chemfiles optional?
- add `/connectivity` group
- slice_by_species: support symbol and number
- slice_by_species is slow
- add `__len__` to `H5MDBase`
- add `atoms.to_json()` method for easy serialization HOT 1
- Add calculator support to `ase.Atoms.todict`
- Test non-cubic boxes
- support `atoms.array`
- `znh5md combine` to combine a list of files
- `znh5md concat`
- `znh5md convert` support `*.gro` and `.xtc`
- Support reader to atoms_list
- MDAnalysis can't read files
- support `get_magnetic_moments` and `get_initial_magnetic_moments`
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