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Extra notes and tips

Searching the source code

If you changed a method significantly, you may need to find all places in Simmate that it is used. You can easily search for these using Spyders Find window. Use these steps to set up this window:

  1. In Spyder, go to the View tab (top of window) > Panes > check Find
  2. In the top-right window of spyder, you should now see the Find option. This will share a window with your Help window and Variable Explorer
  3. In the Find window, set Exclude to the following: (we don't want to search these files) 
    *.csv, *.dat, *.log, *.tmp, *.bak, *.orig, *.egg-info, *.svg, *.xml, OUTCAR, *.js, *.html
  4. Set Search in to the src/simmate directory so that you only search source code.

Git in the command-line

While we recommand sticking with GitKraken, you may need to use the git command-line in some scenarios. Github has extensive guides on how to do this, but we outline the basics here.

For configuring 2-factor-auth, we follow directions from here. To summarize:

1. Go to Profile >> Settings >> Account Security
2. Select "Enable two-factor" authentication
3. Follow the prompt to set up (I used SMS and save my codes to BitWarden)

For configuring your API token, we follow directions from here. To summarize:

1. Go to Profile >> Settings >> Developer Settings >> Personal Access tokens
2. Generate new token for 90 days and with the "repo" scope and "read:org"
3. You now use this token as your password when running git commands

And to configure permissions with git on the command-line (using this guide):

1. make sure github cli is installed (`conda install -c conda-forge gh`)
2. run `gh auth login` and follow prompts to paste in personal token from above

Lastly, some common commands include... 

# to copy a remote directory to your local disk
git clone <GITHUB-URL>

# while in a git directory, this pulls a specific branch (main here)
git pull origin main

# To remove all changes and reset your branch
git restore .