.gitignore

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

# C extensions
*.so

# Vim scratch files
.swp

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

# PyInstaller
#  Usually these files are written by a python script from a template
#  before PyInstaller builds the exe, so as to inject date/other infos into it.
*.manifest
*.spec

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

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

# Translations
*.mo
*.pot
*.swp

# Django stuff:
*.log

# Sphinx documentation
docs/**/_build/
docs/**/api/

# PyBuilder
target/


# Psi4 quantities
timer.dat
*.out
iter.dat
psi*clean

# Sample
mongo_qcdb/sample.py
test.py

# Dask
dask-worker-space/

# Fireworks
launcher_*
fireworks_logfile.txt

# Geometric
energy.txt

# SSl certs
*.pem
*.crt
*.key

# Other
monkeytype.sqlite3

# Parsl
ipengine.*
parsl_scripts/*
runinfo/
.idea/

#vscode
**/.vscode/

# QCFractal backup files
*.bak

# Mac cruft
.DS_Store

# Backup files
*~

.mypy_cache
qcarchivetesting/qcarchivetesting/MaxMind-DB
conda-build/builds
GeoLite2-City.mmdb

# Geometric files
qce.vdata_first
qce_optim.xyz