3 Commits

Author SHA1 Message Date
34e8758ff8 chore: migrate build system to hatch, switch dependency management to uv, and update CI workflow 2026-02-28 19:12:23 -03:00
d400970e8f refactor: unify and modernize periodic table utilities and typing
- Replace atomsymb and atommass tuples with AtomInfo dataclass and PTable enum for atomic data
- Refactor all usages to access atomic symbol and mass via PTable methods
- Remove nptyping dependency, switch to numpy.typing for type annotations
- Update molecule and atom classes to use new typing and atomic data access
- Bump numpy version to 2.x and remove nptyping from dependencies
2026-02-27 17:56:11 -03:00
cb4b21ab6c chore: better project structure 2026-02-26 18:04:44 -03:00