.gitignore

# Byte-compiled / optimized / DLL files
__pycache__/
*.py[cod]
*.csv

# C extensions
*.so

# some files
*.ipynb
*.cif
*.xyz
*.sh
dft_results.csv
*.traj
*.xyz
POSCAR
log
setup_.py
test_edge_ids_small.csv
bvse_vs_ft.png
*.neb
example.md


# Distribution / packaging
bin/
build/
develop-eggs/
dist/
eggs/
lib/
lib64/
parts/
sdist/
var/
*.egg-info/
.installed.cfg
*.egg

theory.png

# Installer logs
pip-log.txt
pip-delete-this-directory.txt

# Unit test / coverage reports
.tox/
.coverage
.cache
nosetests.xml
coverage.xml

# Translations
*.mo

# Mr Developer
.mr.developer.cfg
.project
.pydevproject

# Rope
.ropeproject

# Django stuff:
*.log
*.pot

# OS generated files #
######################
.DS_Store
.DS_Store?
**/.DS_Store
**/**/.DS_Store
._*
.Spotlight-V100
.Trashes
ehthumbs.db
Thumbs.db

# Sphinx documentation
docs/_build/