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DicePlayer
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6a154429e9ee02415a0a70d17f89966ea5a3dd89
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Vitor Hideyoshi
6a154429e9
feat: better args parsing
2026-03-15 20:03:01 -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
feat: better args parsing
2026-03-15 20:03:01 -03:00
tests
feat: add dice input generation and player routines for NVT/NPT simulations
2026-03-15 10:50:03 -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
feat: improves and initilize player pipeline
2026-03-05 00:33:48 -03:00
phb.ljc.example
Rename phb.ljc.exemple to phb.ljc.example
2022-06-02 13:48:29 -03:00
pyproject.toml
refactor: update imports and switch to pytest for testing
2026-03-01 11:52:30 -03:00
README.md
Create README.md
2022-08-12 10:50:22 -03:00
uv.lock
refactor: update imports and switch to pytest for testing
2026-03-01 11:52:30 -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%