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Vitor Hideyoshi
53f75b44a5
Merge pull request
#18
from HideyoshiNakazone/feature/refactors-environment
...
Feature/refactors environment
2026-02-28 19:14:20 -03:00
.github
/workflows
chore: migrate build system to hatch, switch dependency management to uv, and update CI workflow
2026-02-28 18:58:24 -03:00
diceplayer
chore: migrate build system to hatch, switch dependency management to uv, and update CI workflow
2026-02-28 19:12:23 -03:00
tests
refactor: modernize System and Molecule classes with dataclasses and cleanup
2026-02-28 15:54:46 -03:00
.gitignore
chore: switches from black and isort to ruff
2026-02-26 17:47:26 -03:00
.pre-commit-config.yaml
chore: switches from black and isort to ruff
2026-02-26 17:47:26 -03:00
.python-version
chore: migrate build system to hatch, switch dependency management to uv, and update CI workflow
2026-02-28 18:58:24 -03:00
control.example.yml
Fixes Continue from Last Run and Implements Geoms File
2023-06-10 23:56:57 -03:00
phb.ljc.example
Rename phb.ljc.exemple to phb.ljc.example
2022-06-02 13:48:29 -03:00
pyproject.toml
chore: migrate build system to hatch, switch dependency management to uv, and update CI workflow
2026-02-28 19:12:23 -03:00
README.md
Create README.md
2022-08-12 10:50:22 -03:00
uv.lock
chore: migrate build system to hatch, switch dependency management to uv, and update CI workflow
2026-02-28 19:12:23 -03:00
README.md
DicePlayer
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Description
Python Program for Molecular Optimization in Non-Vacuum Mediums
gaussian16
python
Readme
751
KiB
Languages
Python
100%
