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
5d76e49f89
chore: switches from black and isort to ruff
2026-02-26 17:47:26 -03:00
f0e5bbeaee
fix: switches typing to typing_extensions for python3.10 compatibility
2026-02-26 08:39:21 -03:00
c51d07cff2
feat: improved implementation and validations of configs
2026-02-26 08:35:59 -03:00
e5c6282c86
chore: fixes tests
2026-02-26 06:23:30 -03:00
c1aa49b22c
Updates Versioning Pipeline
2024-07-24 00:19:45 -03:00
c4dae5e8d1
Adds Formatter to Project
2023-06-11 16:05:43 -03:00
6e10d07416
Changes Project to Poetry
2023-06-11 15:36:08 -03:00
753a8cb964
Changes Versioning System for Better Publicly
2023-06-11 01:20:00 -03:00
8bed68c451
Fixes Continue from Last Run and Implements Geoms File
2023-06-10 23:56:57 -03:00
d0be244d3c
Implements Saves for Last Successful Run
2023-06-05 19:01:36 -03:00
33612f2d7b
Implements Refactoring in Player Class and Initial Working Version
2023-06-02 20:20:38 -03:00
b440a0f05d
Implements Additional Logs and class Player Tests
2023-05-03 03:16:49 -03:00
a13088c409
Fixes Test for configure Method in DiceInterface
2023-04-25 14:01:32 +00:00
9202331852
Finishes DiceInterface Refactoring and Continues Tests Implementation
2023-04-24 12:16:00 -03:00
71744641ff
Read Potentials and Initial Testing
2023-03-04 16:20:25 -03:00
