Comments (1)
The interface for setting the atoms should then accept
- a list as is currently possible,
- a tuple or list with two elements, first is list of different species, second is list of indices pointing to the element in the first list.
- a string which makes all atoms the same
Lastly this requires that the atom property gets overloaded with a getter and setter
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Related Issues (20)
- `pytest` on current dev version HOT 23
- Geometry.distance `scipy.stats.mode(keepdims)`
- Have a CI branch which checks the minimal versions supported, catches these things much simpler... :)
- New release should be tested against numpy 2.0.0 HOT 1
- Allow rotation for spherical angles (theta, phi) in spin-rotation
- Atom instantiation with weird Z values needs clarification
- Grid.isosurface for complex values? HOT 5
- sisl.nodes warnings in tests HOT 1
- Usability suggestions -- Atom, bilayer HOT 15
- Reading wannier Hamiltonian with out '_centres.xyz' present HOT 6
- tests running with FORTRAN=OFF
- Rename `stdoutSileVASP` to `outcarSileVASP` HOT 4
- Dispatch methods does not work
- Documentation of SileBinder methods HOT 2
- Math in sisl documentation HOT 5
- Change CLI to click HOT 1
- how can i use param_circle for graphene HOT 4
- use tocartesian HOT 11
- Change neighborfinder returns to a tuple of indices and supercell indices HOT 21
- Sisl files not available in readthedocs documentation HOT 18
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