.gitignore

# GROMACS files we dont want to store
simulation/*/*.xvg
simulation/*/*.xtc
simulation/*/*.gro
simulation/*/*.edr
simulation/*/*.tpr
simulation/*/*.trr
simulation/*/*.cpt
simulation/*/*.top
simulation/*/*.itp
simulation/*/*out.mdp

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

# C extensions
*.so

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

# 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
*,cover
.hypothesis/

# Translations
*.mo
*.pot

# Django stuff:
*.log
local_settings.py

# Flask stuff:
instance/
.webassets-cache

# Scrapy stuff:
.scrapy

# Sphinx documentation
docs/_build/

# PyBuilder
target/

# IPython Notebook
.ipynb_checkpoints

# pyenv
.python-version

# celery beat schedule file
celerybeat-schedule

# dotenv
.env

# virtualenv
venv/
ENV/

# Spyder project settings
.spyderproject

# Rope project settings
.ropeproject

### JetBrains template
# Covers JetBrains IDEs: IntelliJ, RubyMine, PhpStorm, AppCode, PyCharm, CLion, Android Studio and Webstorm
# Reference: https://intellij-support.jetbrains.com/hc/en-us/articles/206544839

.idea
# User-specific stuff:
.idea/workspace.xml
.idea/tasks.xml
.idea/dictionaries
.idea/vcs.xml
.idea/jsLibraryMappings.xml

# Sensitive or high-churn files:
.idea/dataSources.ids
.idea/dataSources.xml
.idea/dataSources.local.xml
.idea/sqlDataSources.xml
.idea/dynamic.xml
.idea/uiDesigner.xml

# Gradle:
.idea/gradle.xml
.idea/libraries

# Mongo Explorer plugin:
.idea/mongoSettings.xml

## File-based project format:
*.iws

## Plugin-specific files:

# IntelliJ
/out/

# mpeltonen/sbt-idea plugin
.idea_modules/

# JIRA plugin
atlassian-ide-plugin.xml

# Crashlytics plugin (for Android Studio and IntelliJ)
com_crashlytics_export_strings.xml
crashlytics.properties
crashlytics-build.properties
fabric.properties