Inspired by clancelet, a set of computational chemistry Python libraries and tools developed by the Clancy Group, Cornell University.

This is Python library developed by Yaset Acevedo for a similar purpose

If you would like to install, simply clone the git repo, edit the install.py accordingly and run install.py

	`git clone https://github.com/jminuse/clancelot.git`

If added to the project and you want to contribute, you can do the following:

1. Request permission from James Stevenson

2. Setup an ssh key as described here

3. Decide where you would like to have the repo, change directories to it, and run:

    `git clone [email protected]:jminuse/clancelot.git`
   

4. Run the following to make sure you have your ssh id's stored:

    `ssh-add ~/.ssh/id_rsa`
   
    `ssh-add`
   

5. Whenever you want to add or delete a file (remember that you cannot add an empty folder) run:

   To Add:

    `git add PATH/TO/FILE/NEW_FILE_NAME`
   

   To Delete:

    `git rm PATH/TO/FILE/FILE_TO_DELETE`
   

6. Whenevery you want to add updated files to git, run:

    `git add -u`
   

7. When you are ready to add to the main repo, run:

    `git commit -m "Whatever message describing what you did"`
    `git push`
   

8. Finally, you may want to check if there are any changes you made prior to adding all updated files: The following checks which files are different to what is in your commit:

    `git status`
   

   The following will look at the last two changes of a file:

    `git blame PATH/TO/FILE/FILE_NAME`