Feature release
Bug fixes
- Show more instructive error message if a material argument is not followed by a valid material id
- Recalculate or invalidate derivatives if band alignment has changed in
kdotpy merge - Fix exception with checking script directories on different drives in Windows
- Fix exception in
kdotpy batchwhen no variable substitutions are given
Implementation changes
- Improve potential file imports
- Allow y coordinates of spatial lattice to be chosen at integer multiples or at half integer multiples of the resolution
- Save model options into XML output
- Optimize plot handling for 2D band plots
New features
- Apply potentials of the form V(y, z) in
kdotpy 1d; accept csv files with grid-type or mesh-type data, and use interpolation if needed - Optical transitions for bulk Landau level calculations (
kdotpy bulk-ll) - Add filter for material files
- Add helper functions for serialization (for future use)
- Local density of states in multiple dimensions (
kdotpy 2d) - Density as function of y and z (
kdotpy 1d) - Binary output files (Numpy npz format) for local density of states in two dimensions and for density as function of y, z, and energy
- Band alignment in
kdotpy 1d(manual only) - Cache eigenstates with binary files in
kdotpy 1d
Miscellaneous
- Add license metadata in
pyproject.tomlfollowing PEP 639