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Coding Resources 
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This page is meant to give a quick introduction to different coding 
languages frequently used in the Theory Suite, as well as provide 
educational resources for additional practice. The main languages 
used in the Theory Suite are Python and Bash.

One thing to note is that these are pretty common languages. This 
means that there should be lots of help on the internet if you get 
stuck coding for your project.

Python 
------

Python is a very helpful tool when it comes to parsing files for 
specific values of interest, plotting data, and/or data 
manipulation. Many of the in-house packages designed wtihin the 
Theory Suite are written in Python, so learning to understand the 
language should be a huge help for new computational chemists.

Python itself has a `Python Tutorial <https://docs.python.org/3/tutorial/>`_ 
that will be helpful for the installation and basic use.

For using Python for scientific/chemical purposes, the Molecular 
Sciences Software Institute (MolSSI) has very helpful workshops 
that implement Python to parse through files, collect the data of 
interest, plot that data, and more. You can find the MolSSI resources 
`here <http://education.molssi.org/>`_.

Bash 
----

Bash scripting can be used in the command line as another way to 
parse files and execute commands in the Terminal. This is a handy 
way of automating your commands so that you don't have to type 
essentially the same phrase over and over again.

Bash is a little less common in the Theory Suite than Python, but 
still good to know, as it will allow you to write calculation submission 
scripts and help automate a common workflow.

A good resource for learning Bash scripting and working on the 
command line is from `freeCodeCamp <https://www.freecodecamp.org/news/bash-scripting-tutorial-linux-shell-script-and-command-line-for-beginners/>`_.
This online tutorial goes from basic command line use to looping 
and branching, all of while can be quite beneficial in your research. 

For more resources to learn Bash scripting, feel free to check out 
`Red Hat <https://www.redhat.com/sysadmin/learn-bash-scripting>`_. 
This site goes through different online resources for different tasks 
you might want to accomplish.