clancelot

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

Installing

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`

Contributing

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`