HamGNN/.gitignore at main · QuantumLab-ZY/HamGNN · GitHub

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# ============================================
# HamGNN .gitignore
# ============================================

# --- Python ---
*.py[cod]
*$py.class
*.so
.Python
build/
develop-eggs/
dist/
downloads/
eggs/
.eggs/
lib/
lib64/
parts/
sdist/
var/
wheels/
*.egg-info/
.installed.cfg
*.egg

# --- Virtual Environments ---
.env
.venv
env/
venv/
ENV/
env.bak/
venv.bak/
conda/envs/

# --- Jupyter/IPython ---
.ipynb_checkpoints
*.ipynb
__pycache__/
*.pyc
*.pyo
*.pyd

# --- IDE ---
.vscode/
.idea/
*.swp
*.swo
*~
.DS_Store
Thumbs.db

# --- PyTorch/TensorBoard ---
*.ckpt
*.pt
*.pth
*.tar
events/
logs/
wandb/

# --- Scientific/ML ---
*.npz
*.npy
*.lmdb
*.h5
*.hdf5
*.csv
*.pkl
*.pickle
*.sqlite
*.db

# --- DFT Software Outputs ---
*.scfout
*.out
*.dat
*.HSX
*.fdf

# --- HamGNN specific ---
HamGNN.egg-info/
train_dir/
test_dir/
pred_dir/
prediction_*.npy
target_*.npy

# --- Documentation build ---
docs/_build/
docs/.doctrees/
docs/html/
/docs/superpowers/

# --- Large binary files (use Git LFS) ---
# *.zip
# *.tar.gz
# *.whl

# --- Compiled Fortran/C ---
*.mod
*.o
*.obj
*.a
*.lib
*.dll
*.exe

# --- Temporary files ---
*.tmp
*.temp
*.log
*.bak
*.backup
*~
.#*
\#*#